N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F2N5O — CID 58063058

About N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063058) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 58063058
• Molecular Formula: C22H23F2N5O
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.19
• IUPAC Name: N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCC(F)(F)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12
• InChI: InChI=1S/C22H23F2N5O/c23-22(24)10-7-15(8-11-22)26-21(30)17-13-25-29-12-9-19(28-20(17)29)27-18-6-5-14-3-1-2-4-16(14)18/h1-4,9,12-13,15,18H,5-8,10-11H2,(H,26,30)(H,27,28)
• InChIKey: RWPGYCAQTJESMZ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063058) is N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12.

What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RWPGYCAQTJESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c23-22(24)10-7-15(8-11-22)26-21(30)17-13-25-29-12-9-19(28-20(17)29)27-18-6-5-14-3-1-2-4-16(14)18/h1-4,9,12-13,15,18H,5-8,10-11H2,(H,26,30)(H,27,28).

What are the key properties of N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).