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

C96H107FN18O6 — CID 167641523

IUPAC1-[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
SMILESC=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4C4CC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccccc4)c3c2)=CN1C
InChIInChI=1S/C33H35FN6O2.C33H36N6O2.C30H36N6O2/c1-21-14-25(17-38(5)22(21)2)24-8-11-29-28(15-24)32(37-31(36-29)26-16-35-39(18-26)20-33(3,4)41)40-12-13-42-19-30(40)23-6-9-27(34)10-7-23;1-22-15-26(18-37(5)23(22)2)25-11-12-29-28(16-25)32(39-13-14-41-20-30(39)24-9-7-6-8-10-24)36-31(35-29)27-17-34-38(19-27)21-33(3,4)40;1-19-12-23(15-34(5)20(19)2)22-8-9-26-25(13-22)29(36-10-11-38-17-27(36)21-6-7-21)33-28(32-26)24-14-31-35(16-24)18-30(3,4)37/h6-11,14-18,30,41H,2,12-13,19-20H2,1,3-5H3;6-12,15-19,30,40H,2,13-14,20-21H2,1,3-5H3;8-9,12-16,21,27,37H,2,6-7,10-11,17-18H2,1,3-5H3
InChIKeyPFNGBOOYYYKQHD-UHFFFAOYSA-N
MW1628.03 g/mol
LogP15.94
Rot. Bonds18

About 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

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 (PubChem CID 167641523) has the molecular formula C96H107FN18O6 and a molecular weight of 1628.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID167641523
Molecular FormulaC96H107FN18O6
Molecular Weight1628.03 g/mol
Exact Mass1626.86
IUPAC Name1-[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
SMILESC=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4C4CC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccccc4)c3c2)=CN1C
InChIInChI=1S/C33H35FN6O2.C33H36N6O2.C30H36N6O2/c1-21-14-25(17-38(5)22(21)2)24-8-11-29-28(15-24)32(37-31(36-29)26-16-35-39(18-26)20-33(3,4)41)40-12-13-42-19-30(40)23-6-9-27(34)10-7-23;1-22-15-26(18-37(5)23(22)2)25-11-12-29-28(16-25)32(39-13-14-41-20-30(39)24-9-7-6-8-10-24)36-31(35-29)27-17-34-38(19-27)21-33(3,4)40;1-19-12-23(15-34(5)20(19)2)22-8-9-26-25(13-22)29(36-10-11-38-17-27(36)21-6-7-21)33-28(32-26)24-14-31-35(16-24)18-30(3,4)37/h6-11,14-18,30,41H,2,12-13,19-20H2,1,3-5H3;6-12,15-19,30,40H,2,13-14,20-21H2,1,3-5H3;8-9,12-16,21,27,37H,2,6-7,10-11,17-18H2,1,3-5H3
InChIKeyPFNGBOOYYYKQHD-UHFFFAOYSA-N
XLogP15.94
TPSA238.62 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.03
LogP ≤ 515.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4C4CC4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)=CN1C.C=C1C(C)=CC(c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccccc4)c3c2)=CN1C.
What is the InChIKey of 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?
The InChIKey is PFNGBOOYYYKQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN6O2.C33H36N6O2.C30H36N6O2/c1-21-14-25(17-38(5)22(21)2)24-8-11-29-28(15-24)32(37-31(36-29)26-16-35-39(18-26)20-33(3,4)41)40-12-13-42-19-30(40)23-6-9-27(34)10-7-23;1-22-15-26(18-37(5)23(22)2)25-11-12-29-28(16-25)32(39-13-14-41-20-30(39)24-9-7-6-8-10-24)36-31(35-29)27-17-34-38(19-27)21-33(3,4)40;1-19-12-23(15-34(5)20(19)2)22-8-9-26-25(13-22)29(36-10-11-38-17-27(36)21-6-7-21)33-28(32-26)24-14-31-35(16-24)18-30(3,4)37/h6-11,14-18,30,41H,2,12-13,19-20H2,1,3-5H3;6-12,15-19,30,40H,2,13-14,20-21H2,1,3-5H3;8-9,12-16,21,27,37H,2,6-7,10-11,17-18H2,1,3-5H3.
What are the key properties of 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?
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 has a molecular weight of 1628.03 g/mol, XLogP of 15.94, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167641523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).