(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C22H26N6O — CID 95821027

IUPAC(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESNc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)ccn1
InChIInChI=1S/C22H26N6O/c23-20-13-17(9-11-24-20)19-14-26-27-21(19)18-7-4-12-28(15-18)22(29)25-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,18H,4,7-8,10,12,15H2,(H2,23,24)(H,25,29)(H,26,27)/t18-/m0/s1
InChIKeyCJBQRHACDXKBDP-SFHVURJKSA-N
MW390.49 g/mol
LogP3.19
Rot. Bonds5

About (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 95821027) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID95821027
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESNc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)ccn1
InChIInChI=1S/C22H26N6O/c23-20-13-17(9-11-24-20)19-14-26-27-21(19)18-7-4-12-28(15-18)22(29)25-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,18H,4,7-8,10,12,15H2,(H2,23,24)(H,25,29)(H,26,27)/t18-/m0/s1
InChIKeyCJBQRHACDXKBDP-SFHVURJKSA-N
XLogP3.19
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 95816762
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
4-[5-[(3S)-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridin-2-amine
CID 95830944
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 95821022
1-[(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 95817732
2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
CID 124964173
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 124962428
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 95821027) is (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is Nc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)ccn1.
What is the InChIKey of (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is CJBQRHACDXKBDP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N6O/c23-20-13-17(9-11-24-20)19-14-26-27-21(19)18-7-4-12-28(15-18)22(29)25-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,18H,4,7-8,10,12,15H2,(H2,23,24)(H,25,29)(H,26,27)/t18-/m0/s1.
What are the key properties of (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95821027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).