4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile

C24H20F2N4 — CID 154332344

IUPAC4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CC=C3C=C(N4CCC[C@@H]4c4cc(F)ccc4F)C=CN32)cc1
InChIInChI=1S/C24H20F2N4/c25-18-5-8-23(26)22(14-18)24-2-1-11-28(24)20-9-12-30-21(15-20)10-13-29(30)19-6-3-17(16-27)4-7-19/h3-10,12,14-15,24H,1-2,11,13H2/t24-/m1/s1
InChIKeyYNBPSFKYYFZSRH-XMMPIXPASA-N
MW402.45 g/mol
LogP5.01
Rot. Bonds3

About 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile

4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile (PubChem CID 154332344) has the molecular formula C24H20F2N4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile
PubChem CID154332344
Molecular FormulaC24H20F2N4
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CC=C3C=C(N4CCC[C@@H]4c4cc(F)ccc4F)C=CN32)cc1
InChIInChI=1S/C24H20F2N4/c25-18-5-8-23(26)22(14-18)24-2-1-11-28(24)20-9-12-30-21(15-20)10-13-29(30)19-6-3-17(16-27)4-7-19/h3-10,12,14-15,24H,1-2,11,13H2/t24-/m1/s1
InChIKeyYNBPSFKYYFZSRH-XMMPIXPASA-N
XLogP5.01
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine
CID 172812047
5-chloro-2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-methylimidazole-4-carbonitrile
CID 166306917
6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 166330239
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
4-[7-(2,5-difluorophenyl)-1,4-thiazepane-4-carbonyl]benzonitrile
CID 90631757
N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127945
4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-fluorobenzonitrile
CID 44520777
4-[[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129471230
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
3-fluoro-4-(2-phenylpyrrolidin-1-yl)benzonitrile
CID 133333698
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144985682

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile?
The IUPAC name of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile (CID 154332344) is 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile is N#Cc1ccc(N2CC=C3C=C(N4CCC[C@@H]4c4cc(F)ccc4F)C=CN32)cc1.
What is the InChIKey of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile?
The InChIKey is YNBPSFKYYFZSRH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20F2N4/c25-18-5-8-23(26)22(14-18)24-2-1-11-28(24)20-9-12-30-21(15-20)10-13-29(30)19-6-3-17(16-27)4-7-19/h3-10,12,14-15,24H,1-2,11,13H2/t24-/m1/s1.
What are the key properties of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile?
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile has a molecular weight of 402.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 154332344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).