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

C19H16F2N6O — CID 156781790

IUPAC3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(C(F)F)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C19H16F2N6O/c1-10-3-4-22-7-14(10)15-5-13-16(8-23-15)26-18(28)17(13)11(2)25-12-6-24-27(9-12)19(20)21/h3-9,19,26,28H,1-2H3/b25-11+
InChIKeyGVCZIPAPJMMBQO-OPEKNORGSA-N
MW382.37 g/mol
LogP4.37
Rot. Bonds4

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

3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781790) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781790
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cnn(C(F)F)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C19H16F2N6O/c1-10-3-4-22-7-14(10)15-5-13-16(8-23-15)26-18(28)17(13)11(2)25-12-6-24-27(9-12)19(20)21/h3-9,19,26,28H,1-2H3/b25-11+
InChIKeyGVCZIPAPJMMBQO-OPEKNORGSA-N
XLogP4.37
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[N-[1-(difluoromethyl)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-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781790) is 3-[N-[1-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cnn(C(F)F)c1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is GVCZIPAPJMMBQO-OPEKNORGSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-10-3-4-22-7-14(10)15-5-13-16(8-23-15)26-18(28)17(13)11(2)25-12-6-24-27(9-12)19(20)21/h3-9,19,26,28H,1-2H3/b25-11+.
What are the key properties of 3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 382.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).