2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine

C13H14ClN5 — CID 79292679

IUPAC2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
SMILESCn1nccc1Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H14ClN5/c1-18-10(3-7-16-18)9-19-12-4-6-15-8-11(12)17-13(19)2-5-14/h3-4,6-8H,2,5,9H2,1H3
InChIKeyKSWYDJCOLGBWLL-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79292679) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
PubChem CID79292679
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
SMILESCn1nccc1Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H14ClN5/c1-18-10(3-7-16-18)9-19-12-4-6-15-8-11(12)17-13(19)2-5-14/h3-4,6-8H,2,5,9H2,1H3
InChIKeyKSWYDJCOLGBWLL-UHFFFAOYSA-N
XLogP1.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(3-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177112
5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(5-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177111
US10399985, Example 23
CID 118278081
US10399985, Example 28
CID 118278095
US10399985, Example 16
CID 118278207
US10399985, Example 29
CID 118278224
US10399985, Example 27
CID 118278230
US10399985, Example 26
CID 118288254
4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
CID 658284
1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858809
3-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine
CID 11356881
1-Methyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine
CID 11494318

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine (CID 79292679) is 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine is Cn1nccc1Cn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is KSWYDJCOLGBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18-10(3-7-16-18)9-19-12-4-6-15-8-11(12)17-13(19)2-5-14/h3-4,6-8H,2,5,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 275.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).