2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

C30H26N6O4 — CID 86763128

IUPAC2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C[C@H](O)CO)c4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C30H26N6O4/c1-17-20(6-4-8-27(17)36-16-32-25-7-3-2-5-22(25)30(36)40)21-9-10-23(29(31)39)28-24(21)11-26(34-28)18-12-33-35(13-18)14-19(38)15-37/h2-13,16,19,34,37-38H,14-15H2,1H3,(H2,31,39)/t19-/m0/s1
InChIKeyZIOMQOCDRBPUQF-IBGZPJMESA-N
MW534.58 g/mol
LogP3.16
Rot. Bonds7

About 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 86763128) has the molecular formula C30H26N6O4 and a molecular weight of 534.58 g/mol. Its IUPAC name is 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID86763128
Molecular FormulaC30H26N6O4
Molecular Weight534.58 g/mol
Exact Mass534.20
IUPAC Name2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C[C@H](O)CO)c4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C30H26N6O4/c1-17-20(6-4-8-27(17)36-16-32-25-7-3-2-5-22(25)30(36)40)21-9-10-23(29(31)39)28-24(21)11-26(34-28)18-12-33-35(13-18)14-19(38)15-37/h2-13,16,19,34,37-38H,14-15H2,1H3,(H2,31,39)/t19-/m0/s1
InChIKeyZIOMQOCDRBPUQF-IBGZPJMESA-N
XLogP3.16
TPSA152.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (CID 86763128) is 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C[C@H](O)CO)c4)cc23)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is ZIOMQOCDRBPUQF-IBGZPJMESA-N. The full InChI is InChI=1S/C30H26N6O4/c1-17-20(6-4-8-27(17)36-16-32-25-7-3-2-5-22(25)30(36)40)21-9-10-23(29(31)39)28-24(21)11-26(34-28)18-12-33-35(13-18)14-19(38)15-37/h2-13,16,19,34,37-38H,14-15H2,1H3,(H2,31,39)/t19-/m0/s1.
What are the key properties of 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 534.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 86763128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).