5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F2N5O2 — CID 58063050

About 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063050) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 58063050
• Molecular Formula: C21H21F2N5O2
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.17
• IUPAC Name: 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCOCC1)c1cnn2ccc(NC3CCc4c(F)ccc(F)c43)nc12
• InChI: InChI=1S/C21H21F2N5O2/c22-15-2-3-16(23)19-13(15)1-4-17(19)26-18-5-8-28-20(27-18)14(11-24-28)21(29)25-12-6-9-30-10-7-12/h2-3,5,8,11-12,17H,1,4,6-7,9-10H2,(H,25,29)(H,26,27)
• InChIKey: SOJKYLPXZXBXQC-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063050) is 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCOCC1)c1cnn2ccc(NC3CCc4c(F)ccc(F)c43)nc12.

What is the InChIKey of 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SOJKYLPXZXBXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c22-15-2-3-16(23)19-13(15)1-4-17(19)26-18-5-8-28-20(27-18)14(11-24-28)21(29)25-12-6-9-30-10-7-12/h2-3,5,8,11-12,17H,1,4,6-7,9-10H2,(H,25,29)(H,26,27).

What are the key properties of 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).