4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C18H18N6O — CID 135335815

IUPAC4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccco1
InChIInChI=1S/C18H18N6O/c1-11-21-15-5-4-14(12-9-16(19)23-17(20)10-12)22-18(15)24(11)7-6-13-3-2-8-25-13/h2-5,8-10H,6-7H2,1H3,(H4,19,20,23)
InChIKeyZWDRSWWQYGLOOM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.80
Rot. Bonds4

About 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335815) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335815
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccco1
InChIInChI=1S/C18H18N6O/c1-11-21-15-5-4-14(12-9-16(19)23-17(20)10-12)22-18(15)24(11)7-6-13-3-2-8-25-13/h2-5,8-10H,6-7H2,1H3,(H4,19,20,23)
InChIKeyZWDRSWWQYGLOOM-UHFFFAOYSA-N
XLogP2.80
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine with MolForge

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Related Compounds

AC1903
CID 667146
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
2-Ethyl-1-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 556949
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079
2-N-(4-aminocyclohexyl)-6-N-[[4-(furan-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine
CID 20609846
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335815) is 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccco1.
What is the InChIKey of 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is ZWDRSWWQYGLOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-21-15-5-4-14(12-9-16(19)23-17(20)10-12)22-18(15)24(11)7-6-13-3-2-8-25-13/h2-5,8-10H,6-7H2,1H3,(H4,19,20,23).
What are the key properties of 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 334.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(furan-2-yl)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).