[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C20H25N5O — CID 154994240

IUPAC[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESC/N=N/c1ccc(N2CCCc3cc(C(=O)N4CCCC4)[nH]c32)cc1C
InChIInChI=1S/C20H25N5O/c1-14-12-16(7-8-17(14)23-21-2)25-11-5-6-15-13-18(22-19(15)25)20(26)24-9-3-4-10-24/h7-8,12-13,22H,3-6,9-11H2,1-2H3/b23-21+
InChIKeyKIUVZVLLODFYIN-XTQSDGFTSA-N
MW351.45 g/mol
LogP4.36
Rot. Bonds3

About [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154994240) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID154994240
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESC/N=N/c1ccc(N2CCCc3cc(C(=O)N4CCCC4)[nH]c32)cc1C
InChIInChI=1S/C20H25N5O/c1-14-12-16(7-8-17(14)23-21-2)25-11-5-6-15-13-18(22-19(15)25)20(26)24-9-3-4-10-24/h7-8,12-13,22H,3-6,9-11H2,1-2H3/b23-21+
InChIKeyKIUVZVLLODFYIN-XTQSDGFTSA-N
XLogP4.36
TPSA64.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-7-[2-(piperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]quinazolin-4-one
CID 154994483
4-[2-(3-methylideneazetidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2-prop-2-enylbenzaldehyde
CID 166886523
(2S)-2-ethyl-5-[2-(3-methylpyrrolidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2,3-dihydroinden-1-one
CID 154994033
2-iodo-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 154994306
4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoic acid
CID 154994272
7-[2-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994220
[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994314
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
[4-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-fluorophenyl]-methyldiazene
CID 166887258
(7-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913124
2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
CID 154994710

Frequently Asked Questions

What is the IUPAC name of [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 154994240) is [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone is C/N=N/c1ccc(N2CCCc3cc(C(=O)N4CCCC4)[nH]c32)cc1C.
What is the InChIKey of [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KIUVZVLLODFYIN-XTQSDGFTSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-12-16(7-8-17(14)23-21-2)25-11-5-6-15-13-18(22-19(15)25)20(26)24-9-3-4-10-24/h7-8,12-13,22H,3-6,9-11H2,1-2H3/b23-21+.
What are the key properties of [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-methyl-4-(methyldiazenyl)phenyl]-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154994240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).