3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C31H34N6O2 — CID 11156698

IUPAC3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESCc1cccnc1C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39)
InChIKeyIIPKKXCMVUVRSU-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.33
Rot. Bonds6

About 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 11156698) has the molecular formula C31H34N6O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID11156698
Molecular FormulaC31H34N6O2
Molecular Weight522.65 g/mol
Exact Mass522.27
IUPAC Name3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESCc1cccnc1C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39)
InChIKeyIIPKKXCMVUVRSU-UHFFFAOYSA-N
XLogP5.33
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one 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 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 11156698) is 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is Cc1cccnc1C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is IIPKKXCMVUVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39).
What are the key properties of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 522.65 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11156698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).