1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine

C18H17N5O — CID 155542982

IUPAC1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1
InChIInChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyUMYWGBFTJUFYQW-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.86
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine

1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155542982) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155542982
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1
InChIInChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyUMYWGBFTJUFYQW-UHFFFAOYSA-N
XLogP3.86
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Kinetin
CID 3830
(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Noberastine
CID 60531
AC1903
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Jak3-IN-5
CID 122362932
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
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Roscovitine derivative 1
CID 73353575
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
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3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine (CID 155542982) is 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine is CNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is UMYWGBFTJUFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 319.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155542982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).