N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H24F2N4O — CID 72672980

IUPACN-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12
InChIInChI=1S/C22H24F2N4O/c1-22(2,3)26-21(29)18-12-25-28-8-7-17(11-20(18)28)27-13-16(24)10-19(27)14-5-4-6-15(23)9-14/h4-9,11-12,16,19H,10,13H2,1-3H3,(H,26,29)
InChIKeyVSLZEFZZCYOXEV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.29
Rot. Bonds3

About N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 72672980) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID72672980
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC NameN-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12
InChIInChI=1S/C22H24F2N4O/c1-22(2,3)26-21(29)18-12-25-28-8-7-17(11-20(18)28)27-13-16(24)10-19(27)14-5-4-6-15(23)9-14/h4-9,11-12,16,19H,10,13H2,1-3H3,(H,26,29)
InChIKeyVSLZEFZZCYOXEV-UHFFFAOYSA-N
XLogP4.29
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 118352873
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599349
N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127949
sodium tert-butylsulfonyl-[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]azanide
CID 140675019
N-tert-butyl-5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500241
5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944950
ethyl 5-[(2R,4S)-4-fluoro-2-(3-fluoro-5-isocyanophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123700192
N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160888417
[5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 56943983
[1-[3-[bis[(4-methoxyphenyl)methyl]carbamoyl]pyrazolo[1,5-a]pyridin-5-yl]-5-(3-fluorophenyl)pyrrolidin-3-yl] methanesulfonate
CID 88921512
1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 130433803
N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598812

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 72672980) is N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12.
What is the InChIKey of N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VSLZEFZZCYOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-22(2,3)26-21(29)18-12-25-28-8-7-17(11-20(18)28)27-13-16(24)10-19(27)14-5-4-6-15(23)9-14/h4-9,11-12,16,19H,10,13H2,1-3H3,(H,26,29).
What are the key properties of N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 72672980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).