methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine

C48H67N13 — CID 158587481

IUPACmethane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESC.CC(C)n1ccc2c1N=CCC2.CC(C)n1ccc2cccnc21.CC(C)n1cnc2c1C=NCC2.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2cccnc21
InChIInChI=1S/C10H14N2.C10H12N2.2C9H13N3.C9H11N3.CH4/c2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-8-4-3-5-10-9(8)12;/h5-8H,3-4H2,1-2H3;3-8H,1-2H3;2*5-7H,3-4H2,1-2H3;3-7H,1-2H3;1H4
InChIKeyHTZVZRNNYCDRQS-UHFFFAOYSA-N
MW826.16 g/mol
LogP11.53
Rot. Bonds5

About methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine

methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 158587481) has the molecular formula C48H67N13 and a molecular weight of 826.16 g/mol. Its IUPAC name is methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namemethane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID158587481
Molecular FormulaC48H67N13
Molecular Weight826.16 g/mol
Exact Mass825.56
IUPAC Namemethane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESC.CC(C)n1ccc2c1N=CCC2.CC(C)n1ccc2cccnc21.CC(C)n1cnc2c1C=NCC2.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2cccnc21
InChIInChI=1S/C10H14N2.C10H12N2.2C9H13N3.C9H11N3.CH4/c2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-8-4-3-5-10-9(8)12;/h5-8H,3-4H2,1-2H3;3-8H,1-2H3;2*5-7H,3-4H2,1-2H3;3-7H,1-2H3;1H4
InChIKeyHTZVZRNNYCDRQS-UHFFFAOYSA-N
XLogP11.53
TPSA126.18 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500826.16
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)
CID 167547928
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CID 142434166
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
3-iodoimidazo[4,5-b]pyridine
CID 129018665
1,1-dichloroethane;quinoline
CID 174696538
imidazo[4,5-b]pyridin-3-amine
CID 69402235
1-phenylpyrrolo[2,3-b]pyridine
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2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 98023074
2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
CID 82514410
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361

Frequently Asked Questions

What is the IUPAC name of methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 158587481) is methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine is C.CC(C)n1ccc2c1N=CCC2.CC(C)n1ccc2cccnc21.CC(C)n1cnc2c1C=NCC2.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2cccnc21.
What is the InChIKey of methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is HTZVZRNNYCDRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C10H12N2.2C9H13N3.C9H11N3.CH4/c2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-8-4-3-5-10-9(8)12;/h5-8H,3-4H2,1-2H3;3-8H,1-2H3;2*5-7H,3-4H2,1-2H3;3-7H,1-2H3;1H4.
What are the key properties of methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine?
methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 826.16 g/mol, XLogP of 11.53, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).