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

C21H18FN7 — CID 137373639

IUPAC5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)n1
InChIInChI=1S/C21H18FN7/c22-21(6-1-2-7-21)13-28-12-16(11-25-28)18-4-3-17(10-23)27-20(18)15-5-8-29-19(9-15)24-14-26-29/h3-5,8-9,11-12,14H,1-2,6-7,13H2
InChIKeyGKAPRRVTFGSECI-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.81
Rot. Bonds4

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

5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137373639) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137373639
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)n1
InChIInChI=1S/C21H18FN7/c22-21(6-1-2-7-21)13-28-12-16(11-25-28)18-4-3-17(10-23)27-20(18)15-5-8-29-19(9-15)24-14-26-29/h3-5,8-9,11-12,14H,1-2,6-7,13H2
InChIKeyGKAPRRVTFGSECI-UHFFFAOYSA-N
XLogP3.81
TPSA84.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.81
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]-6-([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]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137373639) is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([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]-6-([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]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is N#Cc1ccc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)n1.
What is the InChIKey of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is GKAPRRVTFGSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c22-21(6-1-2-7-21)13-28-12-16(11-25-28)18-4-3-17(10-23)27-20(18)15-5-8-29-19(9-15)24-14-26-29/h3-5,8-9,11-12,14H,1-2,6-7,13H2.
What are the key properties of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 387.42 g/mol, XLogP of 3.81, 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]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137373639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).