[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone

C26H24N8O — CID 170977597

IUPAC[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1nn2ccccc2c1-c1ncccn1)N1CCCC[C@H]1Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C26H24N8O/c35-26(24-23(25-28-13-7-14-29-25)22-10-3-6-16-34(22)31-24)33-15-5-2-8-19(33)18-32-17-11-21(30-32)20-9-1-4-12-27-20/h1,3-4,6-7,9-14,16-17,19H,2,5,8,15,18H2/t19-/m0/s1
InChIKeyJJCFTMFSAODJQJ-IBGZPJMESA-N
MW464.53 g/mol
LogP3.74
Rot. Bonds5

About [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone

[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 170977597) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID170977597
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1nn2ccccc2c1-c1ncccn1)N1CCCC[C@H]1Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C26H24N8O/c35-26(24-23(25-28-13-7-14-29-25)22-10-3-6-16-34(22)31-24)33-15-5-2-8-19(33)18-32-17-11-21(30-32)20-9-1-4-12-27-20/h1,3-4,6-7,9-14,16-17,19H,2,5,8,15,18H2/t19-/m0/s1
InChIKeyJJCFTMFSAODJQJ-IBGZPJMESA-N
XLogP3.74
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977406
(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 170977887
(2R)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178914
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
(5-methyl-2-phenyltriazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324237
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
[(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azepan-1-yl]-(3-pyridin-2-yl-6H-pyrazolo[1,5-a]azepin-2-yl)methanone
CID 170978126
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95353546
(2R)-2-(benzimidazol-1-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95602733

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone (CID 170977597) is [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone is O=C(c1nn2ccccc2c1-c1ncccn1)N1CCCC[C@H]1Cn1ccc(-c2ccccn2)n1.
What is the InChIKey of [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is JJCFTMFSAODJQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N8O/c35-26(24-23(25-28-13-7-14-29-25)22-10-3-6-16-34(22)31-24)33-15-5-2-8-19(33)18-32-17-11-21(30-32)20-9-1-4-12-27-20/h1,3-4,6-7,9-14,16-17,19H,2,5,8,15,18H2/t19-/m0/s1.
What are the key properties of [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone?
[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 464.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 170977597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).