1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone

C22H25N5O2 — CID 95816762

IUPAC1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)ccn1
InChIInChI=1S/C22H25N5O2/c23-20-11-17(8-9-24-20)19-12-25-26-22(19)18-7-4-10-27(13-18)21(28)15-29-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H2,23,24)(H,25,26)/t18-/m1/s1
InChIKeyRMCKCHXGVSIYBJ-GOSISDBHSA-N
MW391.48 g/mol
LogP2.98
Rot. Bonds6

About 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone

1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 95816762) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID95816762
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)ccn1
InChIInChI=1S/C22H25N5O2/c23-20-11-17(8-9-24-20)19-12-25-26-22(19)18-7-4-10-27(13-18)21(28)15-29-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H2,23,24)(H,25,26)/t18-/m1/s1
InChIKeyRMCKCHXGVSIYBJ-GOSISDBHSA-N
XLogP2.98
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone 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

(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027
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
4-[5-[(3S)-1-(2-phenylmethoxyethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzoic acid
CID 95821039
1-[(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 95817732
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
methyl 3-[5-[(3R)-1-(2-phenylmethoxyethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzoate
CID 95821041
2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylmethoxyethyl)piperidine
CID 110089792

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone (CID 95816762) is 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone is Nc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)ccn1.
What is the InChIKey of 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is RMCKCHXGVSIYBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-20-11-17(8-9-24-20)19-12-25-26-22(19)18-7-4-10-27(13-18)21(28)15-29-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H2,23,24)(H,25,26)/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 391.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 95816762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).