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

C23H22FN7 — CID 137373954

IUPAC6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1
InChIInChI=1S/C23H22FN7/c1-2-20-28-21-11-16(7-10-31(21)29-20)22-19(6-5-18(12-25)27-22)17-13-26-30(14-17)15-23(24)8-3-4-9-23/h5-7,10-11,13-14H,2-4,8-9,15H2,1H3
InChIKeyRHSIIBXXWMVKBR-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.37
Rot. Bonds5

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

6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137373954) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137373954
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1
InChIInChI=1S/C23H22FN7/c1-2-20-28-21-11-16(7-10-31(21)29-20)22-19(6-5-18(12-25)27-22)17-13-26-30(14-17)15-23(24)8-3-4-9-23/h5-7,10-11,13-14H,2-4,8-9,15H2,1H3
InChIKeyRHSIIBXXWMVKBR-UHFFFAOYSA-N
XLogP4.37
TPSA84.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137373954) is 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(F)CCCC4)c3)ccn2n1.
What is the InChIKey of 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is RHSIIBXXWMVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c1-2-20-28-21-11-16(7-10-31(21)29-20)22-19(6-5-18(12-25)27-22)17-13-26-30(14-17)15-23(24)8-3-4-9-23/h5-7,10-11,13-14H,2-4,8-9,15H2,1H3.
What are the key properties of 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 415.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137373954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).