6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine

C17H15ClN6 — CID 57456757

IUPAC6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H15ClN6/c1-2-14-13(22-15-5-4-12(18)10-24(14)15)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3
InChIKeyVHYNXAWAASOALR-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.25
Rot. Bonds4

About 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine

6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 57456757) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID57456757
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H15ClN6/c1-2-14-13(22-15-5-4-12(18)10-24(14)15)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3
InChIKeyVHYNXAWAASOALR-UHFFFAOYSA-N
XLogP3.25
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Glu-P 2
CID 49970
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
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
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
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine (CID 57456757) is 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine is CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is VHYNXAWAASOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c1-2-14-13(22-15-5-4-12(18)10-24(14)15)11-23-9-8-21-17(23)16-19-6-3-7-20-16/h3-10H,2,11H2,1H3.
What are the key properties of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 338.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 57456757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).