[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C27H31F2N5O — CID 78127733

IUPAC[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C27H31F2N5O/c28-20-5-6-24(29)22(14-20)25-4-3-11-33(25)21-8-13-34-26(15-21)23(16-30-34)27(35)32-12-7-19(18-32)17-31-9-1-2-10-31/h5-6,8,13-16,19,25H,1-4,7,9-12,17-18H2
InChIKeyOZTPIAKMCQAKCT-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.51
Rot. Bonds5

About [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 78127733) has the molecular formula C27H31F2N5O and a molecular weight of 479.58 g/mol. Its IUPAC name is [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID78127733
Molecular FormulaC27H31F2N5O
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C27H31F2N5O/c28-20-5-6-24(29)22(14-20)25-4-3-11-33(25)21-8-13-34-26(15-21)23(16-30-34)27(35)32-12-7-19(18-32)17-31-9-1-2-10-31/h5-6,8,13-16,19,25H,1-4,7,9-12,17-18H2
InChIKeyOZTPIAKMCQAKCT-UHFFFAOYSA-N
XLogP4.51
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71599428
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599516
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 78128026
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 123482196
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127418
N-[1-(2,5-difluorophenyl)-2-hydroxyethyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599091
2-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-4-yl]acetaldehyde
CID 88580144
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127585
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599263

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 78127733) is [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12)N1CCC(CN2CCCC2)C1.
What is the InChIKey of [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OZTPIAKMCQAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O/c28-20-5-6-24(29)22(14-20)25-4-3-11-33(25)21-8-13-34-26(15-21)23(16-30-34)27(35)32-12-7-19(18-32)17-31-9-1-2-10-31/h5-6,8,13-16,19,25H,1-4,7,9-12,17-18H2.
What are the key properties of [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 479.58 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 78127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).