phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C20H21N5O — CID 95815306

IUPACphenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1
InChIInChI=1S/C20H21N5O/c26-20(16-6-2-1-3-7-16)25-12-9-15(10-13-25)17-14-19(24-23-17)22-18-8-4-5-11-21-18/h1-8,11,14-15H,9-10,12-13H2,(H2,21,22,23,24)
InChIKeyUXPUYHNHUIQJKE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.57
Rot. Bonds4

About phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 95815306) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID95815306
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Namephenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1
InChIInChI=1S/C20H21N5O/c26-20(16-6-2-1-3-7-16)25-12-9-15(10-13-25)17-14-19(24-23-17)22-18-8-4-5-11-21-18/h1-8,11,14-15H,9-10,12-13H2,(H2,21,22,23,24)
InChIKeyUXPUYHNHUIQJKE-UHFFFAOYSA-N
XLogP3.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-yl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95821013
phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
[(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
tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 110269760
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
N-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 155906949
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
1-benzoyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 71998614
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110111745
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
CID 24794840

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 95815306) is phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1.
What is the InChIKey of phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UXPUYHNHUIQJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(16-6-2-1-3-7-16)25-12-9-15(10-13-25)17-14-19(24-23-17)22-18-8-4-5-11-21-18/h1-8,11,14-15H,9-10,12-13H2,(H2,21,22,23,24).
What are the key properties of phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95815306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).