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

C33H32FN7O3 — CID 175266828

IUPAC4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(C4OCCNC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C33H32FN7O3/c1-33(2,43)18-41-16-21(15-37-41)31-38-26-9-6-20(25-17-40(3)32(42)29-23(25)10-11-35-29)14-24(26)28(39-31)30-27(36-12-13-44-30)19-4-7-22(34)8-5-19/h4-11,14-17,27,30,35-36,43H,12-13,18H2,1-3H3
InChIKeyOSXXPZNNTCFXNB-UHFFFAOYSA-N
MW593.66 g/mol
LogP4.65
Rot. Bonds6

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

4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 175266828) has the molecular formula C33H32FN7O3 and a molecular weight of 593.66 g/mol. Its IUPAC name is 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID175266828
Molecular FormulaC33H32FN7O3
Molecular Weight593.66 g/mol
Exact Mass593.26
IUPAC Name4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(C4OCCNC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C33H32FN7O3/c1-33(2,43)18-41-16-21(15-37-41)31-38-26-9-6-20(25-17-40(3)32(42)29-23(25)10-11-35-29)14-24(26)28(39-31)30-27(36-12-13-44-30)19-4-7-22(34)8-5-19/h4-11,14-17,27,30,35-36,43H,12-13,18H2,1-3H3
InChIKeyOSXXPZNNTCFXNB-UHFFFAOYSA-N
XLogP4.65
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.66
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 175266828) is 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(C4OCCNC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OSXXPZNNTCFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O3/c1-33(2,43)18-41-16-21(15-37-41)31-38-26-9-6-20(25-17-40(3)32(42)29-23(25)10-11-35-29)14-24(26)28(39-31)30-27(36-12-13-44-30)19-4-7-22(34)8-5-19/h4-11,14-17,27,30,35-36,43H,12-13,18H2,1-3H3.
What are the key properties of 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 593.66 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 175266828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).