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

C21H20ClFN6 — CID 137374012

IUPAC7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3cnnc3c2)nc1Cl
InChIInChI=1S/C21H20ClFN6/c1-14-8-17(16-10-25-29(11-16)12-21(23)5-2-3-6-21)19(26-20(14)22)15-4-7-28-13-24-27-18(28)9-15/h4,7-11,13H,2-3,5-6,12H2,1H3
InChIKeyNVCSILQFWANRJU-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.90
Rot. Bonds4

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

7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 137374012) has the molecular formula C21H20ClFN6 and a molecular weight of 410.88 g/mol. Its IUPAC name is 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID137374012
Molecular FormulaC21H20ClFN6
Molecular Weight410.88 g/mol
Exact Mass410.14
IUPAC Name7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3cnnc3c2)nc1Cl
InChIInChI=1S/C21H20ClFN6/c1-14-8-17(16-10-25-29(11-16)12-21(23)5-2-3-6-21)19(26-20(14)22)15-4-7-28-13-24-27-18(28)9-15/h4,7-11,13H,2-3,5-6,12H2,1H3
InChIKeyNVCSILQFWANRJU-UHFFFAOYSA-N
XLogP4.90
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137374208
2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine
CID 137374525
2-methyl-7-[3-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374147
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
6-[5,6-dimethyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-1,2-benzothiazole 1-oxide
CID 129301806
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137371552
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374

Frequently Asked Questions

What is the IUPAC name of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 137374012) is 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(-c2cnn(CC3(F)CCCC3)c2)c(-c2ccn3cnnc3c2)nc1Cl.
What is the InChIKey of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NVCSILQFWANRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN6/c1-14-8-17(16-10-25-29(11-16)12-21(23)5-2-3-6-21)19(26-20(14)22)15-4-7-28-13-24-27-18(28)9-15/h4,7-11,13H,2-3,5-6,12H2,1H3.
What are the key properties of 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 410.88 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 137374012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).