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

C20H18F2N6O — CID 150823366

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

3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 150823366) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

• Compound Name: 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• PubChem CID: 150823366
• Molecular Formula: C20H18F2N6O
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.15
• IUPAC Name: 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• SMILES: C/C(=N\c1ccn(CC(F)F)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
• InChI: InChI=1S/C20H18F2N6O/c1-11-3-5-23-8-14(11)15-7-13-16(9-24-15)26-20(29)19(13)12(2)25-18-4-6-28(27-18)10-17(21)22/h3-9,17,26,29H,10H2,1-2H3/b25-12+
• InChIKey: RDVIDYIHPWMDJH-BRJLIKDPSA-N
• XLogP: 4.24
• TPSA: 91.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.40
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?

The IUPAC name of 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) is 3-[N-[1-(2,2-difluoroethyl)pyrazol-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-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?

The canonical SMILES for 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1ccn(CC(F)F)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.

What is the InChIKey of 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?

The InChIKey is RDVIDYIHPWMDJH-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-11-3-5-23-8-14(11)15-7-13-16(9-24-15)26-20(29)19(13)12(2)25-18-4-6-28(27-18)10-17(21)22/h3-9,17,26,29H,10H2,1-2H3/b25-12+.

What are the key properties of 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?

3-[N-[1-(2,2-difluoroethyl)pyrazol-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 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 150823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).