6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

C20H17N7O — CID 138522314

IUPAC6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12
InChIInChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3
InChIKeyLZCZXZMBISRJPO-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.93
Rot. Bonds4

About 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 138522314) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID138522314
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12
InChIInChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3
InChIKeyLZCZXZMBISRJPO-UHFFFAOYSA-N
XLogP2.93
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
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CID 135336101
6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673689
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
6-Iodo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
CID 11583188
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(pyrazol-1-yl)imidazo[1,2-a]pyridine
CID 11689612
N-[5-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654466
[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155521814
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659843
2-(4-(2-Methoxyphenyl)piperazin-1-ylmethyl)imidazo(1,2-a)pyridine
CID 6469693

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 138522314) is 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is COc1ncnc2ccn(-c3cnc4nc(C)n(Cc5ccccn5)c4c3)c12.
What is the InChIKey of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is LZCZXZMBISRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-13-25-19-17(27(13)11-14-5-3-4-7-21-14)9-15(10-22-19)26-8-6-16-18(26)20(28-2)24-12-23-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 371.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).