[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone

C18H19N5O — CID 117073836

IUPAC[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H19N5O/c24-18(17-5-1-2-8-19-17)23-9-3-4-15(12-23)21-14-6-7-16-13(10-14)11-20-22-16/h1-2,5-8,10-11,15,21H,3-4,9,12H2,(H,20,22)
InChIKeyOPHDYNJMSQRNPS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.67
Rot. Bonds3

About [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 117073836) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID117073836
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H19N5O/c24-18(17-5-1-2-8-19-17)23-9-3-4-15(12-23)21-14-6-7-16-13(10-14)11-20-22-16/h1-2,5-8,10-11,15,21H,3-4,9,12H2,(H,20,22)
InChIKeyOPHDYNJMSQRNPS-UHFFFAOYSA-N
XLogP2.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-5-yl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072877
N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370496
N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370501
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
2-(4-bromo-2-fluorophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
CID 117073165
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide
CID 10178823
(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
CID 117073044
[(3S)-3-(3-bromoanilino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125139715
[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
CID 97260124
2-amino-2-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073147

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone (CID 117073836) is [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is OPHDYNJMSQRNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(17-5-1-2-8-19-17)23-9-3-4-15(12-23)21-14-6-7-16-13(10-14)11-20-22-16/h1-2,5-8,10-11,15,21H,3-4,9,12H2,(H,20,22).
What are the key properties of [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 117073836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).