5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

C18H19N7O — CID 156781805

IUPAC5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(C)c1)c1c(O)[nH]c2cnc(-c3cnn(C)c3C)cc12
InChIInChI=1S/C18H19N7O/c1-10(22-12-6-20-24(3)9-12)17-13-5-15(14-7-21-25(4)11(14)2)19-8-16(13)23-18(17)26/h5-9,23,26H,1-4H3/b22-10+
InChIKeyYRDRRCDBFZRICQ-LSHDLFTRSA-N
MW349.40 g/mol
LogP2.85
Rot. Bonds3

About 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781805) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781805
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(C)c1)c1c(O)[nH]c2cnc(-c3cnn(C)c3C)cc12
InChIInChI=1S/C18H19N7O/c1-10(22-12-6-20-24(3)9-12)17-13-5-15(14-7-21-25(4)11(14)2)19-8-16(13)23-18(17)26/h5-9,23,26H,1-4H3/b22-10+
InChIKeyYRDRRCDBFZRICQ-LSHDLFTRSA-N
XLogP2.85
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 156781862
3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463086
6-chloro-5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-indol-2-ol
CID 166571949
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781798
(2S)-2-[4-[1-[5-(2-fluoro-6-methoxyphenyl)-2-hydroxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]propanenitrile
CID 151174197
3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463517
3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781854
3-[(E)-C-methyl-N-(5-methyl-1,3-thiazol-2-yl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781817
3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463162
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781794
3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462774
(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide
CID 166572000

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781805) is 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cnn(C)c1)c1c(O)[nH]c2cnc(-c3cnn(C)c3C)cc12.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is YRDRRCDBFZRICQ-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(22-12-6-20-24(3)9-12)17-13-5-15(14-7-21-25(4)11(14)2)19-8-16(13)23-18(17)26/h5-9,23,26H,1-4H3/b22-10+.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).