4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide

C20H22N6O — CID 72907237

IUPAC4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C20H22N6O/c27-19(8-1-4-14-10-23-24-11-14)25-17-6-2-7-18-16(17)13-22-20(26-18)15-5-3-9-21-12-15/h3,5,9-13,17H,1-2,4,6-8H2,(H,23,24)(H,25,27)
InChIKeyGQXZHJUUQCQFJG-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.78
Rot. Bonds6

About 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide

4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide (PubChem CID 72907237) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
PubChem CID72907237
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C20H22N6O/c27-19(8-1-4-14-10-23-24-11-14)25-17-6-2-7-18-16(17)13-22-20(26-18)15-5-3-9-21-12-15/h3,5,9-13,17H,1-2,4,6-8H2,(H,23,24)(H,25,27)
InChIKeyGQXZHJUUQCQFJG-UHFFFAOYSA-N
XLogP2.78
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[2-Phenyl-4-(1h-Pyrazol-3-Ylamino)quinazolin-7-Yl]prop-2-Enamide
CID 49867019
1-[4-[[2-[(1-Methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
CID 162423118
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436
1-[4-[benzyl(methyl)amino]-2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 50942847
(7R)-2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
CID 53261848
7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-6-one
CID 58405634
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-4-yl)-7H-pteridin-6-one
CID 58405673
9-(4,6-dimethylpyrimidin-2-yl)-2-[(4-phenyl-1H-pyrazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 67289227
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71462034

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide (CID 72907237) is 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide is O=C(CCCc1cn[nH]c1)NC1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
The InChIKey is GQXZHJUUQCQFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-19(8-1-4-14-10-23-24-11-14)25-17-6-2-7-18-16(17)13-22-20(26-18)15-5-3-9-21-12-15/h3,5,9-13,17H,1-2,4,6-8H2,(H,23,24)(H,25,27).
What are the key properties of 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide?
4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide has a molecular weight of 362.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide is sourced from PubChem (CID 72907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).