3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

C21H22N6O2 — CID 146463086

IUPAC3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(CC(C)O)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C21H22N6O2/c1-12-4-5-22-8-17(12)18-6-16-19(9-23-18)26-21(29)20(16)14(3)25-15-7-24-27(11-15)10-13(2)28/h4-9,11,13,26,28-29H,10H2,1-3H3/b25-14+
InChIKeyUHHZLZRJCLHINC-AFUMVMLFSA-N
MW390.45 g/mol
LogP3.36
Rot. Bonds5

About 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146463086) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID146463086
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(CC(C)O)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C21H22N6O2/c1-12-4-5-22-8-17(12)18-6-16-19(9-23-18)26-21(29)20(16)14(3)25-15-7-24-27(11-15)10-13(2)28/h4-9,11,13,26,28-29H,10H2,1-3H3/b25-14+
InChIKeyUHHZLZRJCLHINC-AFUMVMLFSA-N
XLogP3.36
TPSA112.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(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-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462774
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-(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-[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
(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-[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
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-[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
(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

Frequently Asked Questions

What is the IUPAC name of 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 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) is 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cnn(CC(C)O)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is UHHZLZRJCLHINC-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-4-5-22-8-17(12)18-6-16-19(9-23-18)26-21(29)20(16)14(3)25-15-7-24-27(11-15)10-13(2)28/h4-9,11,13,26,28-29H,10H2,1-3H3/b25-14+.
What are the key properties of 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 390.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146463086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).