cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C19H25N5O — CID 95838089

IUPACcyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1
InChIInChI=1S/C19H25N5O/c25-19(14-7-2-1-3-8-14)24-12-6-9-16(24)15-13-18(23-22-15)21-17-10-4-5-11-20-17/h4-5,10-11,13-14,16H,1-3,6-9,12H2,(H2,20,21,22,23)/t16-/m0/s1
InChIKeyXMEWVKLYXDEOLJ-INIZCTEOSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds4

About cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 95838089) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID95838089
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1
InChIInChI=1S/C19H25N5O/c25-19(14-7-2-1-3-8-14)24-12-6-9-16(24)15-13-18(23-22-15)21-17-10-4-5-11-20-17/h4-5,10-11,13-14,16H,1-3,6-9,12H2,(H2,20,21,22,23)/t16-/m0/s1
InChIKeyXMEWVKLYXDEOLJ-INIZCTEOSA-N
XLogP3.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-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

tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 110269760
[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 95842777
3-(4-chlorophenyl)-1-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 95838093
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
piperidin-4-yl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95821013
phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95815306
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
CID 97158690
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
N-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 155906949

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 95838089) is cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1.
What is the InChIKey of cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is XMEWVKLYXDEOLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(14-7-2-1-3-8-14)24-12-6-9-16(24)15-13-18(23-22-15)21-17-10-4-5-11-20-17/h4-5,10-11,13-14,16H,1-3,6-9,12H2,(H2,20,21,22,23)/t16-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95838089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).