6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide

C27H23FN8O2 — CID 145023275

About 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 145023275) has the molecular formula C27H23FN8O2 and a molecular weight of 510.53 g/mol. Its IUPAC name is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 145023275
• Molecular Formula: C27H23FN8O2
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.19
• IUPAC Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: CC1(C)C(N)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C(=O)NCc3ccco3)c21
• InChI: InChI=1S/C27H23FN8O2/c1-27(2)19-21(25(37)31-13-16-8-6-12-38-16)32-23(33-22(19)34-26(27)29)20-17-9-5-11-30-24(17)36(35-20)14-15-7-3-4-10-18(15)28/h3-12H,13-14H2,1-2H3,(H,31,37)(H2,29,32,33,34)
• InChIKey: XUMWHHFAMFQWGQ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 137.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 145023275) is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide is CC1(C)C(N)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C(=O)NCc3ccco3)c21.

What is the InChIKey of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is XUMWHHFAMFQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O2/c1-27(2)19-21(25(37)31-13-16-8-6-12-38-16)32-23(33-22(19)34-26(27)29)20-17-9-5-11-30-24(17)36(35-20)14-15-7-3-4-10-18(15)28/h3-12H,13-14H2,1-2H3,(H,31,37)(H2,29,32,33,34).

What are the key properties of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 145023275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).