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

C20H18F2N6O — CID 146462774

IUPAC3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cc(C)n(C(F)F)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C20H18F2N6O/c1-10-4-5-23-8-14(10)15-7-13-16(9-24-15)26-19(29)18(13)12(3)25-17-6-11(2)28(27-17)20(21)22/h4-9,20,26,29H,1-3H3/b25-12+
InChIKeyHJBWHURLMRRHAY-BRJLIKDPSA-N
MW396.40 g/mol
LogP4.68
Rot. Bonds4

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

3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146462774) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID146462774
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cc(C)n(C(F)F)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C20H18F2N6O/c1-10-4-5-23-8-14(10)15-7-13-16(9-24-15)26-19(29)18(13)12(3)25-17-6-11(2)28(27-17)20(21)22/h4-9,20,26,29H,1-3H3/b25-12+
InChIKeyHJBWHURLMRRHAY-BRJLIKDPSA-N
XLogP4.68
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.68
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)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 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) is 3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-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)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cc(C)n(C(F)F)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is HJBWHURLMRRHAY-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-10-4-5-23-8-14(10)15-7-13-16(9-24-15)26-19(29)18(13)12(3)25-17-6-11(2)28(27-17)20(21)22/h4-9,20,26,29H,1-3H3/b25-12+.
What are the key properties of 3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 396.40 g/mol, XLogP of 4.68, 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)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146462774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).