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

C23H22FN7 — CID 137373905

IUPAC6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4nc(CF)nc4c3)cn2)CCCC1
InChIInChI=1S/C23H22FN7/c1-23(7-2-3-8-23)15-30-14-17(13-26-30)19-5-4-18(12-25)27-22(19)16-6-9-31-21(10-16)28-20(11-24)29-31/h4-6,9-10,13-14H,2-3,7-8,11,15H2,1H3
InChIKeyHMXVFABVTASFML-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.58
Rot. Bonds5

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

6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137373905) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137373905
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4nc(CF)nc4c3)cn2)CCCC1
InChIInChI=1S/C23H22FN7/c1-23(7-2-3-8-23)15-30-14-17(13-26-30)19-5-4-18(12-25)27-22(19)16-6-9-31-21(10-16)28-20(11-24)29-31/h4-6,9-10,13-14H,2-3,7-8,11,15H2,1H3
InChIKeyHMXVFABVTASFML-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137373905) is 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4nc(CF)nc4c3)cn2)CCCC1.
What is the InChIKey of 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is HMXVFABVTASFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c1-23(7-2-3-8-23)15-30-14-17(13-26-30)19-5-4-18(12-25)27-22(19)16-6-9-31-21(10-16)28-20(11-24)29-31/h4-6,9-10,13-14H,2-3,7-8,11,15H2,1H3.
What are the key properties of 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 415.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137373905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).