(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C14H15F3N4O2 — CID 138011098

IUPAC(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)c2cnn3ccc(N)cc23)C1
InChIInChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)3-5-20(8-13)12(22)10-7-19-21-4-2-9(18)6-11(10)21/h2,4,6-7H,3,5,8,18H2,1H3
InChIKeyPZBIFLXTHUUPKH-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.71
Rot. Bonds2

About (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 138011098) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID138011098
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)c2cnn3ccc(N)cc23)C1
InChIInChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)3-5-20(8-13)12(22)10-7-19-21-4-2-9(18)6-11(10)21/h2,4,6-7H,3,5,8,18H2,1H3
InChIKeyPZBIFLXTHUUPKH-UHFFFAOYSA-N
XLogP1.71
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138049829
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
CID 154789275
(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103726815
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3,3-dimethyl-2-(oxolan-2-yl)azetidin-1-yl]methanone
CID 138010804
[(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
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95713243
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 155937590
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 53041288
5-amino-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 138011128
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 138011098) is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is COC1(C(F)(F)F)CCN(C(=O)c2cnn3ccc(N)cc23)C1.
What is the InChIKey of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PZBIFLXTHUUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)3-5-20(8-13)12(22)10-7-19-21-4-2-9(18)6-11(10)21/h2,4,6-7H,3,5,8,18H2,1H3.
What are the key properties of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 328.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 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)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138011098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).