[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C17H23N5O — CID 95722063

IUPAC[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C17H23N5O/c1-21(2)14-4-3-10-22(11-7-14)17(23)16-12-15(19-20-16)13-5-8-18-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySTGMGAULHXXZFR-CQSZACIVSA-N
MW313.40 g/mol
LogP2.03
Rot. Bonds3

About [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 95722063) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID95722063
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C17H23N5O/c1-21(2)14-4-3-10-22(11-7-14)17(23)16-12-15(19-20-16)13-5-8-18-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySTGMGAULHXXZFR-CQSZACIVSA-N
XLogP2.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone 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

[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95729066
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 72897297
N-butan-2-yl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50800008
(4-tert-butylphenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087727
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087781
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 95722063) is [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is CN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is STGMGAULHXXZFR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(2)14-4-3-10-22(11-7-14)17(23)16-12-15(19-20-16)13-5-8-18-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95722063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).