5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C20H17F4N7O — CID 168773647

About 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773647) has the molecular formula C20H17F4N7O and a molecular weight of 447.40 g/mol. Its IUPAC name is 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 168773647
• Molecular Formula: C20H17F4N7O
• Molecular Weight: 447.40 g/mol
• Exact Mass: 447.14
• IUPAC Name: 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: O=C(NCC(F)F)c1cnn2ccc(-c3c[nH]c4nc(NC5CC(F)(F)C5)ncc34)cc12
• InChI: InChI=1S/C20H17F4N7O/c21-16(22)9-26-18(32)14-8-28-31-2-1-10(3-15(14)31)12-6-25-17-13(12)7-27-19(30-17)29-11-4-20(23,24)5-11/h1-3,6-8,11,16H,4-5,9H2,(H,26,32)(H2,25,27,29,30)
• InChIKey: SWZFETPAXIEAFZ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.40
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773647) is 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCC(F)F)c1cnn2ccc(-c3c[nH]c4nc(NC5CC(F)(F)C5)ncc34)cc12.

What is the InChIKey of 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is SWZFETPAXIEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N7O/c21-16(22)9-26-18(32)14-8-28-31-2-1-10(3-15(14)31)12-6-25-17-13(12)7-27-19(30-17)29-11-4-20(23,24)5-11/h1-3,6-8,11,16H,4-5,9H2,(H,26,32)(H2,25,27,29,30).

What are the key properties of 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 447.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).