(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone

C13H14F3N5O — CID 138049829

IUPAC(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNc1ccn2ncc(C(=O)N3C[C@@H](N)[C@H](C(F)(F)F)C3)c2c1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)9-5-20(6-10(9)18)12(22)8-4-19-21-2-1-7(17)3-11(8)21/h1-4,9-10H,5-6,17-18H2/t9-,10-/m1/s1
InChIKeyJBUGKIVAEROPBD-NXEZZACHSA-N
MW313.28 g/mol
LogP0.88
Rot. Bonds1

About (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 138049829) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID138049829
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNc1ccn2ncc(C(=O)N3C[C@@H](N)[C@H](C(F)(F)F)C3)c2c1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)9-5-20(6-10(9)18)12(22)8-4-19-21-2-1-7(17)3-11(8)21/h1-4,9-10H,5-6,17-18H2/t9-,10-/m1/s1
InChIKeyJBUGKIVAEROPBD-NXEZZACHSA-N
XLogP0.88
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138011098
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone
CID 138010926
(3-amino-5-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120978
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
CID 154789275
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 53041288
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3,3-dimethyl-2-(oxolan-2-yl)azetidin-1-yl]methanone
CID 138010804
5-amino-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 138011128
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103120918
2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 154844231
(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666987

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 138049829) is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone is Nc1ccn2ncc(C(=O)N3C[C@@H](N)[C@H](C(F)(F)F)C3)c2c1.
What is the InChIKey of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JBUGKIVAEROPBD-NXEZZACHSA-N. The full InChI is InChI=1S/C13H14F3N5O/c14-13(15,16)9-5-20(6-10(9)18)12(22)8-4-19-21-2-1-7(17)3-11(8)21/h1-4,9-10H,5-6,17-18H2/t9-,10-/m1/s1.
What are the key properties of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138049829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).