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

C19H18ClFN6 — CID 20812037

IUPAC4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2c(Cl)nc(C)cc21
InChIInChI=1S/C19H18ClFN6/c1-3-8-27-14-10-12(2)23-18(20)17(14)25-16(27)11-26-9-7-22-19(26)13-5-4-6-15(21)24-13/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyOJVDHCJTTPDLSL-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.25
Rot. Bonds5

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

4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine (PubChem CID 20812037) 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)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
PubChem CID20812037
Molecular FormulaC19H18ClFN6
Molecular Weight384.85 g/mol
Exact Mass384.13
IUPAC Name4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2c(Cl)nc(C)cc21
InChIInChI=1S/C19H18ClFN6/c1-3-8-27-14-10-12(2)23-18(20)17(14)25-16(27)11-26-9-7-22-19(26)13-5-4-6-15(21)24-13/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyOJVDHCJTTPDLSL-UHFFFAOYSA-N
XLogP4.25
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.25
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

IRAK4 inhibitor rac-45
CID 25169383
3-((5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 86698151
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
Sotirimod
CID 6450818
T-808
CID 53339381
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
Gsk1331258
CID 46190877
8-N-(3-chlorophenyl)-9-cyclopentyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]purine-2,8-diamine
CID 54761309

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The IUPAC name of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine (CID 20812037) is 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine is CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2c(Cl)nc(C)cc21.
What is the InChIKey of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
The InChIKey is OJVDHCJTTPDLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6/c1-3-8-27-14-10-12(2)23-18(20)17(14)25-16(27)11-26-9-7-22-19(26)13-5-4-6-15(21)24-13/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine?
4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine has a molecular weight of 384.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-methyl-1-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 20812037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).