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

C23H22FN7 — CID 137373983

IUPAC5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)c(C)cc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1
InChIInChI=1S/C23H22FN7/c1-15-9-19(18-12-26-30(13-18)14-23(24)6-3-4-7-23)22(28-20(15)11-25)17-5-8-31-21(10-17)27-16(2)29-31/h5,8-10,12-13H,3-4,6-7,14H2,1-2H3
InChIKeyRZEAPJLUPPRWFB-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.43
Rot. Bonds4

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

5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137373983) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137373983
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)c(C)cc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1
InChIInChI=1S/C23H22FN7/c1-15-9-19(18-12-26-30(13-18)14-23(24)6-3-4-7-23)22(28-20(15)11-25)17-5-8-31-21(10-17)27-16(2)29-31/h5,8-10,12-13H,3-4,6-7,14H2,1-2H3
InChIKeyRZEAPJLUPPRWFB-UHFFFAOYSA-N
XLogP4.43
TPSA84.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137373983) is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)c(C)cc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1.
What is the InChIKey of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is RZEAPJLUPPRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c1-15-9-19(18-12-26-30(13-18)14-23(24)6-3-4-7-23)22(28-20(15)11-25)17-5-8-31-21(10-17)27-16(2)29-31/h5,8-10,12-13H,3-4,6-7,14H2,1-2H3.
What are the key properties of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 415.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).