(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide

C20H22N6O — CID 95821022

IUPAC(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Nc2ccccc2)ccn1
InChIInChI=1S/C20H22N6O/c21-18-12-14(9-10-22-18)16-13-23-25-19(16)17-8-4-5-11-26(17)20(27)24-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,17H,4-5,8,11H2,(H2,21,22)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyFTKDGZPVVFKSGT-KRWDZBQOSA-N
MW362.44 g/mol
LogP3.81
Rot. Bonds3

About (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide

(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95821022) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID95821022
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Nc2ccccc2)ccn1
InChIInChI=1S/C20H22N6O/c21-18-12-14(9-10-22-18)16-13-23-25-19(16)17-8-4-5-11-26(17)20(27)24-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,17H,4-5,8,11H2,(H2,21,22)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyFTKDGZPVVFKSGT-KRWDZBQOSA-N
XLogP3.81
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 95817732
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 95816762
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 110149596
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92568328
4-[5-[(3S)-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridin-2-amine
CID 95830944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 95821022) is (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide is Nc1cc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Nc2ccccc2)ccn1.
What is the InChIKey of (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is FTKDGZPVVFKSGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N6O/c21-18-12-14(9-10-22-18)16-13-23-25-19(16)17-8-4-5-11-26(17)20(27)24-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,17H,4-5,8,11H2,(H2,21,22)(H,23,25)(H,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide?
(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95821022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).