4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine

C19H18ClFN6 — CID 87868597

IUPAC4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
SMILESCCCn1c(Cc2cnc(-c3cccc(F)n3)[nH]2)nc2c(Cl)nc(C)cc21
InChIInChI=1S/C19H18ClFN6/c1-3-7-27-14-8-11(2)23-18(20)17(14)26-16(27)9-12-10-22-19(24-12)13-5-4-6-15(21)25-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,24)
InChIKeyRJYKLFSTYGFIME-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.32
Rot. Bonds5

About 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine

4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine (PubChem CID 87868597) has the molecular formula C19H18ClFN6 and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
PubChem CID87868597
Molecular FormulaC19H18ClFN6
Molecular Weight384.85 g/mol
Exact Mass384.13
IUPAC Name4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
SMILESCCCn1c(Cc2cnc(-c3cccc(F)n3)[nH]2)nc2c(Cl)nc(C)cc21
InChIInChI=1S/C19H18ClFN6/c1-3-7-27-14-8-11(2)23-18(20)17(14)26-16(27)9-12-10-22-19(24-12)13-5-4-6-15(21)25-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,24)
InChIKeyRJYKLFSTYGFIME-UHFFFAOYSA-N
XLogP4.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The IUPAC name of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine (CID 87868597) is 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine is CCCn1c(Cc2cnc(-c3cccc(F)n3)[nH]2)nc2c(Cl)nc(C)cc21.
What is the InChIKey of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The InChIKey is RJYKLFSTYGFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6/c1-3-7-27-14-8-11(2)23-18(20)17(14)26-16(27)9-12-10-22-19(24-12)13-5-4-6-15(21)25-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine has a molecular weight of 384.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 87868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).