N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C26H25F4N9O2 — CID 130319620

About N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 130319620) has the molecular formula C26H25F4N9O2 and a molecular weight of 571.54 g/mol. Its IUPAC name is N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 130319620
• Molecular Formula: C26H25F4N9O2
• Molecular Weight: 571.54 g/mol
• Exact Mass: 571.21
• IUPAC Name: N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: CC(N)(CNC(=O)c1nc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)nc2c1C(C)(C)C(=O)N2)CC(F)F
• InChI: InChI=1S/C26H25F4N9O2/c1-25(2)17-19(23(40)34-11-26(3,31)8-16(29)30)35-21(36-20(17)37-24(25)41)18-13-7-12(27)9-33-22(13)39(38-18)10-15-14(28)5-4-6-32-15/h4-7,9,16H,8,10-11,31H2,1-3H3,(H,34,40)(H,35,36,37,41)
• InChIKey: FQCPSGGFRORILL-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 153.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.54
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The IUPAC name of N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 130319620) is N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

What is the SMILES notation for N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CC(N)(CNC(=O)c1nc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)nc2c1C(C)(C)C(=O)N2)CC(F)F.

What is the InChIKey of N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is FQCPSGGFRORILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N9O2/c1-25(2)17-19(23(40)34-11-26(3,31)8-16(29)30)35-21(36-20(17)37-24(25)41)18-13-7-12(27)9-33-22(13)39(38-18)10-15-14(28)5-4-6-32-15/h4-7,9,16H,8,10-11,31H2,1-3H3,(H,34,40)(H,35,36,37,41).

What are the key properties of N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 571.54 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 130319620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).