1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone

C23H25N7O2 — CID 159505673

IUPAC1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone
SMILESC/N=C1\Cc2nc(CC(=O)C3CC3)cc(Nc3cccc(-c4ncn(C)n4)c3OC)c2N1
InChIInChI=1S/C23H25N7O2/c1-24-20-11-18-21(28-20)17(9-14(26-18)10-19(31)13-7-8-13)27-16-6-4-5-15(22(16)32-3)23-25-12-30(2)29-23/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyLZYLNGPXGCJGOP-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.15
Rot. Bonds7

About 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone

1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone (PubChem CID 159505673) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone
PubChem CID159505673
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone
SMILESC/N=C1\Cc2nc(CC(=O)C3CC3)cc(Nc3cccc(-c4ncn(C)n4)c3OC)c2N1
InChIInChI=1S/C23H25N7O2/c1-24-20-11-18-21(28-20)17(9-14(26-18)10-19(31)13-7-8-13)27-16-6-4-5-15(22(16)32-3)23-25-12-30(2)29-23/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyLZYLNGPXGCJGOP-UHFFFAOYSA-N
XLogP3.15
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 157365924
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone
CID 167335152
N-[5-(2-amino-1,1-difluoroethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166858310
[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-cyclopentylmethanone
CID 162355190
6-[[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 155279392
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[6-(piperidin-1-ylmethyl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166799197
N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 154663016
N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142335046
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-3-pyrrolidin-1-ylpropanamide
CID 166798980
5-(cyclopropanecarbonylamino)-6-fluoro-3-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 167316505

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone (CID 159505673) is 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone is C/N=C1\Cc2nc(CC(=O)C3CC3)cc(Nc3cccc(-c4ncn(C)n4)c3OC)c2N1.
What is the InChIKey of 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone?
The InChIKey is LZYLNGPXGCJGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-24-20-11-18-21(28-20)17(9-14(26-18)10-19(31)13-7-8-13)27-16-6-4-5-15(22(16)32-3)23-25-12-30(2)29-23/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone?
1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methylimino-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 159505673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).