1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol

C161H176FN33O10S — CID 167567132

IUPAC1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESC=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CCC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4cccs4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)=CN1C
InChIInChI=1S/C34H34FN7O2.C34H35N7O2.C31H35N7O2.C31H34N6O2S.C31H38N6O2/c1-21-31-26(11-12-36-31)28(18-40(21)4)23-7-10-29-27(15-23)33(39-32(38-29)24-16-37-41(17-24)20-34(2,3)43)42-13-14-44-19-30(42)22-5-8-25(35)9-6-22;1-22-31-26(12-13-35-31)28(19-39(22)4)24-10-11-29-27(16-24)33(41-14-15-43-20-30(41)23-8-6-5-7-9-23)38-32(37-29)25-17-36-40(18-25)21-34(2,3)42;1-19-28-23(9-10-32-28)25(16-36(19)4)21-7-8-26-24(13-21)30(38-11-12-40-17-27(38)20-5-6-20)35-29(34-26)22-14-33-37(15-22)18-31(2,3)39;1-20-13-23(16-35(5)21(20)2)22-8-9-26-25(14-22)30(37-10-11-39-18-27(37)28-7-6-12-40-28)34-29(33-26)24-15-32-36(17-24)19-31(3,4)38;1-20-13-24(16-35(5)21(20)2)23-9-10-27-26(14-23)30(37-11-12-39-18-28(37)22-7-6-8-22)34-29(33-27)25-15-32-36(17-25)19-31(3,4)38/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;5-13,16-19,30,35,42H,1,14-15,20-21H2,2-4H3;7-10,13-16,20,27,32,39H,1,5-6,11-12,17-18H2,2-4H3;6-9,12-17,27,38H,2,10-11,18-19H2,1,3-5H3;9-10,13-17,22,28,38H,2,6-8,11-12,18-19H2,1,3-5H3/t2*30-;2*27-;28-/m11111/s1
InChIKeyFKUUWTJYRKBWDQ-LMMCEPEBSA-N
MW2784.46 g/mol
LogP26.27
Rot. Bonds30

About 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol

1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 167567132) has the molecular formula C161H176FN33O10S and a molecular weight of 2784.46 g/mol. Its IUPAC name is 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol
PubChem CID167567132
Molecular FormulaC161H176FN33O10S
Molecular Weight2784.46 g/mol
Exact Mass2782.40
IUPAC Name1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESC=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CCC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4cccs4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)=CN1C
InChIInChI=1S/C34H34FN7O2.C34H35N7O2.C31H35N7O2.C31H34N6O2S.C31H38N6O2/c1-21-31-26(11-12-36-31)28(18-40(21)4)23-7-10-29-27(15-23)33(39-32(38-29)24-16-37-41(17-24)20-34(2,3)43)42-13-14-44-19-30(42)22-5-8-25(35)9-6-22;1-22-31-26(12-13-35-31)28(19-39(22)4)24-10-11-29-27(16-24)33(41-14-15-43-20-30(41)23-8-6-5-7-9-23)38-32(37-29)25-17-36-40(18-25)21-34(2,3)42;1-19-28-23(9-10-32-28)25(16-36(19)4)21-7-8-26-24(13-21)30(38-11-12-40-17-27(38)20-5-6-20)35-29(34-26)22-14-33-37(15-22)18-31(2,3)39;1-20-13-23(16-35(5)21(20)2)22-8-9-26-25(14-22)30(37-10-11-39-18-27(37)28-7-6-12-40-28)34-29(33-26)24-15-32-36(17-24)19-31(3,4)38;1-20-13-24(16-35(5)21(20)2)23-9-10-27-26(14-23)30(37-11-12-39-18-28(37)22-7-6-8-22)34-29(33-27)25-15-32-36(17-25)19-31(3,4)38/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;5-13,16-19,30,35,42H,1,14-15,20-21H2,2-4H3;7-10,13-16,20,27,32,39H,1,5-6,11-12,17-18H2,2-4H3;6-9,12-17,27,38H,2,10-11,18-19H2,1,3-5H3;9-10,13-17,22,28,38H,2,6-8,11-12,18-19H2,1,3-5H3/t2*30-;2*27-;28-/m11111/s1
InChIKeyFKUUWTJYRKBWDQ-LMMCEPEBSA-N
XLogP26.27
TPSA445.07 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.46
LogP ≤ 526.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Analyze 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 158714712
1-[4-[4-[(3S)-3-cyclohexylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]morpholin-2-yl]methanol
CID 167535567
1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 167641519
1-[4-[4-(3-Cyclopropylmorpholin-4-yl)-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 167641523

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol (CID 167567132) is 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol is C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CCC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4cccs4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)=CN1C.
What is the InChIKey of 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is FKUUWTJYRKBWDQ-LMMCEPEBSA-N. The full InChI is InChI=1S/C34H34FN7O2.C34H35N7O2.C31H35N7O2.C31H34N6O2S.C31H38N6O2/c1-21-31-26(11-12-36-31)28(18-40(21)4)23-7-10-29-27(15-23)33(39-32(38-29)24-16-37-41(17-24)20-34(2,3)43)42-13-14-44-19-30(42)22-5-8-25(35)9-6-22;1-22-31-26(12-13-35-31)28(19-39(22)4)24-10-11-29-27(16-24)33(41-14-15-43-20-30(41)23-8-6-5-7-9-23)38-32(37-29)25-17-36-40(18-25)21-34(2,3)42;1-19-28-23(9-10-32-28)25(16-36(19)4)21-7-8-26-24(13-21)30(38-11-12-40-17-27(38)20-5-6-20)35-29(34-26)22-14-33-37(15-22)18-31(2,3)39;1-20-13-23(16-35(5)21(20)2)22-8-9-26-25(14-22)30(37-10-11-39-18-27(37)28-7-6-12-40-28)34-29(33-26)24-15-32-36(17-24)19-31(3,4)38;1-20-13-24(16-35(5)21(20)2)23-9-10-27-26(14-23)30(37-11-12-39-18-28(37)22-7-6-8-22)34-29(33-27)25-15-32-36(17-25)19-31(3,4)38/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;5-13,16-19,30,35,42H,1,14-15,20-21H2,2-4H3;7-10,13-16,20,27,32,39H,1,5-6,11-12,17-18H2,2-4H3;6-9,12-17,27,38H,2,10-11,18-19H2,1,3-5H3;9-10,13-17,22,28,38H,2,6-8,11-12,18-19H2,1,3-5H3/t2*30-;2*27-;28-/m11111/s1.
What are the key properties of 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol?
1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 2784.46 g/mol, XLogP of 26.27, 30 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 167567132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).