2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23F5N6O4 — CID 155383518

About 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155383518) has the molecular formula C24H23F5N6O4 and a molecular weight of 554.48 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155383518
• Molecular Formula: C24H23F5N6O4
• Molecular Weight: 554.48 g/mol
• Exact Mass: 554.17
• IUPAC Name: 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(OC(F)F)c2C1=O)C(F)(F)F
• InChI: InChI=1S/C24H23F5N6O4/c1-10(24(27,28)29)34-8-13-6-12(7-16(39-23(25)26)17(13)22(34)38)14-4-5-35-20(31-14)18(19(30)33-35)21(37)32-15(9-36)11-2-3-11/h4-7,10-11,15,23,36H,2-3,8-9H2,1H3,(H2,30,33)(H,32,37)/t10-,15-/m0/s1
• InChIKey: LZQMQCKFXBUAPA-BONVTDFDSA-N
• XLogP: 2.99
• TPSA: 135.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.48
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155383518) is 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(OC(F)F)c2C1=O)C(F)(F)F.

What is the InChIKey of 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LZQMQCKFXBUAPA-BONVTDFDSA-N. The full InChI is InChI=1S/C24H23F5N6O4/c1-10(24(27,28)29)34-8-13-6-12(7-16(39-23(25)26)17(13)22(34)38)14-4-5-35-20(31-14)18(19(30)33-35)21(37)32-15(9-36)11-2-3-11/h4-7,10-11,15,23,36H,2-3,8-9H2,1H3,(H2,30,33)(H,32,37)/t10-,15-/m0/s1.

What are the key properties of 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 554.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).