5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

C23H20F2N6 — CID 137374130

IUPAC5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC4C[C@@H](F)[C@H](F)C4)c3)cc2n1
InChIInChI=1S/C23H20F2N6/c1-14-11-30-5-4-16(8-22(30)28-14)23-19(3-2-18(9-26)29-23)17-10-27-31(13-17)12-15-6-20(24)21(25)7-15/h2-5,8,10-11,13,15,20-21H,6-7,12H2,1H3/t20-,21-/m1/s1
InChIKeyCQWSENSKGUJKMV-NHCUHLMSSA-N
MW418.45 g/mol
LogP4.53
Rot. Bonds4

About 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137374130) has the molecular formula C23H20F2N6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137374130
Molecular FormulaC23H20F2N6
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC4C[C@@H](F)[C@H](F)C4)c3)cc2n1
InChIInChI=1S/C23H20F2N6/c1-14-11-30-5-4-16(8-22(30)28-14)23-19(3-2-18(9-26)29-23)17-10-27-31(13-17)12-15-6-20(24)21(25)7-15/h2-5,8,10-11,13,15,20-21H,6-7,12H2,1H3/t20-,21-/m1/s1
InChIKeyCQWSENSKGUJKMV-NHCUHLMSSA-N
XLogP4.53
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374017
2-methyl-7-[3-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374147
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137374130) is 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(CC4C[C@@H](F)[C@H](F)C4)c3)cc2n1.
What is the InChIKey of 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is CQWSENSKGUJKMV-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H20F2N6/c1-14-11-30-5-4-16(8-22(30)28-14)23-19(3-2-18(9-26)29-23)17-10-27-31(13-17)12-15-6-20(24)21(25)7-15/h2-5,8,10-11,13,15,20-21H,6-7,12H2,1H3/t20-,21-/m1/s1.
What are the key properties of 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 418.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137374130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).