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

C22H20FN7 — CID 137373953

IUPAC5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)nc1C#N
InChIInChI=1S/C22H20FN7/c1-15-8-18(17-11-26-29(12-17)13-22(23)5-2-3-6-22)21(28-19(15)10-24)16-4-7-30-20(9-16)25-14-27-30/h4,7-9,11-12,14H,2-3,5-6,13H2,1H3
InChIKeyONQFMRSHWHBAKD-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.12
Rot. Bonds4

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

5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137373953) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-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]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137373953
Molecular FormulaC22H20FN7
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)nc1C#N
InChIInChI=1S/C22H20FN7/c1-15-8-18(17-11-26-29(12-17)13-22(23)5-2-3-6-22)21(28-19(15)10-24)16-4-7-30-20(9-16)25-14-27-30/h4,7-9,11-12,14H,2-3,5-6,13H2,1H3
InChIKeyONQFMRSHWHBAKD-UHFFFAOYSA-N
XLogP4.12
TPSA84.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.12
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-([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-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137373953) is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-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]-3-methyl-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]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3ncnc3c2)nc1C#N.
What is the InChIKey of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is ONQFMRSHWHBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7/c1-15-8-18(17-11-26-29(12-17)13-22(23)5-2-3-6-22)21(28-19(15)10-24)16-4-7-30-20(9-16)25-14-27-30/h4,7-9,11-12,14H,2-3,5-6,13H2,1H3.
What are the key properties of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-3-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 401.45 g/mol, XLogP of 4.12, 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-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137373953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).