[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H18FN5O — CID 95872711

IUPAC[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H18FN5O/c21-13-7-8-15-16(11-13)24-19(23-15)18-6-1-3-9-25(18)20(27)14-12-22-26-10-4-2-5-17(14)26/h2,4-5,7-8,10-12,18H,1,3,6,9H2,(H,23,24)/t18-/m0/s1
InChIKeyZCYRYAWEDDHYDU-SFHVURJKSA-N
MW363.40 g/mol
LogP3.72
Rot. Bonds2

About [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 95872711) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID95872711
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H18FN5O/c21-13-7-8-15-16(11-13)24-19(23-15)18-6-1-3-9-25(18)20(27)14-12-22-26-10-4-2-5-17(14)26/h2,4-5,7-8,10-12,18H,1,3,6,9H2,(H,23,24)/t18-/m0/s1
InChIKeyZCYRYAWEDDHYDU-SFHVURJKSA-N
XLogP3.72
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95896268
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70780184
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 70779196
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 51269954
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
(2,3-dimethyl-1H-indol-7-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024728
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 99931811

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 95872711) is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is ZCYRYAWEDDHYDU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-13-7-8-15-16(11-13)24-19(23-15)18-6-1-3-9-25(18)20(27)14-12-22-26-10-4-2-5-17(14)26/h2,4-5,7-8,10-12,18H,1,3,6,9H2,(H,23,24)/t18-/m0/s1.
What are the key properties of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 363.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 95872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).