5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C16H19N5O2 — CID 118744355

IUPAC5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCC(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c1-12(22)20-9-14(10-21-15(11-20)4-6-19-21)16(23)18-8-13-3-2-5-17-7-13/h2-7,14H,8-11H2,1H3,(H,18,23)
InChIKeyADBDUBSIWKWREW-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.57
Rot. Bonds3

About 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 118744355) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID118744355
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCC(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c1-12(22)20-9-14(10-21-15(11-20)4-6-19-21)16(23)18-8-13-3-2-5-17-7-13/h2-7,14H,8-11H2,1H3,(H,18,23)
InChIKeyADBDUBSIWKWREW-UHFFFAOYSA-N
XLogP0.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-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

Related Compounds

2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 156058472
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 46887107
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
(1S,11S)-14-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202041
1-{4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}-3-(pyridin-4-yl)propan-1-one
CID 53619245
US9763922, Example 23
CID 138805946
US9763922, Example 28
CID 138805949
US9763922, Example 42
CID 138805952
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(pyridin-3-yl)propanamide
CID 4867280
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 118744355) is 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is CC(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1.
What is the InChIKey of 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is ADBDUBSIWKWREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12(22)20-9-14(10-21-15(11-20)4-6-19-21)16(23)18-8-13-3-2-5-17-7-13/h2-7,14H,8-11H2,1H3,(H,18,23).
What are the key properties of 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 118744355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).