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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C67H67FN14O5 — CID 167551696

IUPAC1-[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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C34H34FN7O2.C33H33N7O3/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;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t30-;28-/m11/s1
InChIKeyCMJWUMPSBOOEII-RAABUUOQSA-N
MW1167.36 g/mol
LogP10.30
Rot. Bonds12

About 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 167551696) has the molecular formula C67H67FN14O5 and a molecular weight of 1167.36 g/mol. Its IUPAC name is 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-[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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID167551696
Molecular FormulaC67H67FN14O5
Molecular Weight1167.36 g/mol
Exact Mass1166.54
IUPAC Name1-[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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C34H34FN7O2.C33H33N7O3/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;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t30-;28-/m11/s1
InChIKeyCMJWUMPSBOOEII-RAABUUOQSA-N
XLogP10.30
TPSA209.42 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.36
LogP ≤ 510.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155235073
4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155714975
4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 164616684
1-[2-[4-fluoro-2-[(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118336712
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[5-(oxan-4-yl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-[1-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]indazol-5-yl]imidazol-2-one
CID 139335139
1-[5-[5-(2,2-dimethyloxan-4-yl)-1H-indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-[1-(2-methoxyethyl)indazol-5-yl]imidazol-2-one
CID 139335274
4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155235098
4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155235099
4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155244283
1-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-[1-(2-methoxyethyl)indazol-5-yl]imidazol-2-one
CID 155768192
CID 160689917
CID 160689917
CID 161718624
CID 161718624

Frequently Asked Questions

What is the IUPAC name of 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 167551696) is 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is C=C1c2[nH]ccc2C(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)=CN1C.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O.
What is the InChIKey of 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is CMJWUMPSBOOEII-RAABUUOQSA-N. The full InChI is InChI=1S/C34H34FN7O2.C33H33N7O3/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;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h5-12,15-18,30,36,43H,1,13-14,19-20H2,2-4H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t30-;28-/m11/s1.
What are the key properties of 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1167.36 g/mol, XLogP of 10.30, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 167551696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).