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

C19H17N5OS — CID 156781817

IUPAC3-[(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
SMILESC/C(=N\c1ncc(C)s1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C19H17N5OS/c1-10-4-5-20-8-14(10)15-6-13-16(9-21-15)24-18(25)17(13)12(3)23-19-22-7-11(2)26-19/h4-9,24-25H,1-3H3/b23-12+
InChIKeyFPVVYCNKLWSWKN-FSJBWODESA-N
MW363.45 g/mol
LogP4.54
Rot. Bonds3

About 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

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 (PubChem CID 156781817) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID156781817
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name3-[(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
SMILESC/C(=N\c1ncc(C)s1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C19H17N5OS/c1-10-4-5-20-8-14(10)15-6-13-16(9-21-15)24-18(25)17(13)12(3)23-19-22-7-11(2)26-19/h4-9,24-25H,1-3H3/b23-12+
InChIKeyFPVVYCNKLWSWKN-FSJBWODESA-N
XLogP4.54
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 150823366
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-[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
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-(3-hydroxy-3-methylbutyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781839
3-[C-methyl-N-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463012
(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
3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462731
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
3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol
CID 146463080

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=N\c1ncc(C)s1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 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?
The InChIKey is FPVVYCNKLWSWKN-FSJBWODESA-N. The full InChI is InChI=1S/C19H17N5OS/c1-10-4-5-20-8-14(10)15-6-13-16(9-21-15)24-18(25)17(13)12(3)23-19-22-7-11(2)26-19/h4-9,24-25H,1-3H3/b23-12+.
What are the key properties of 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?
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 has a molecular weight of 363.45 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156781817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).