(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide

C19H23N7O — CID 97436583

IUPAC(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccnc1)N1CCC[C@@H](Cn2ccnc2)C1
InChIInChI=1S/C19H23N7O/c27-19(25-9-2-4-17(13-25)12-24-10-8-21-15-24)23-18-5-7-22-26(18)14-16-3-1-6-20-11-16/h1,3,5-8,10-11,15,17H,2,4,9,12-14H2,(H,23,27)/t17-/m0/s1
InChIKeyMWTOWENWFZRWCW-KRWDZBQOSA-N
MW365.44 g/mol
LogP2.47
Rot. Bonds5

About (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide

(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 97436583) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID97436583
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccnc1)N1CCC[C@@H](Cn2ccnc2)C1
InChIInChI=1S/C19H23N7O/c27-19(25-9-2-4-17(13-25)12-24-10-8-21-15-24)23-18-5-7-22-26(18)14-16-3-1-6-20-11-16/h1,3,5-8,10-11,15,17H,2,4,9,12-14H2,(H,23,27)/t17-/m0/s1
InChIKeyMWTOWENWFZRWCW-KRWDZBQOSA-N
XLogP2.47
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-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

3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97200994
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534543
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99710686
N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 118773528
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 97436583) is (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide is O=C(Nc1ccnn1Cc1cccnc1)N1CCC[C@@H](Cn2ccnc2)C1.
What is the InChIKey of (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is MWTOWENWFZRWCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N7O/c27-19(25-9-2-4-17(13-25)12-24-10-8-21-15-24)23-18-5-7-22-26(18)14-16-3-1-6-20-11-16/h1,3,5-8,10-11,15,17H,2,4,9,12-14H2,(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97436583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).