2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H31N7O5S — CID 155384182

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384182) has the molecular formula C26H31N7O5S and a molecular weight of 553.65 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155384182
• Molecular Formula: C26H31N7O5S
• Molecular Weight: 553.65 g/mol
• Exact Mass: 553.21
• IUPAC Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NCC5CC(O)C5)c4n3)cc(NS(C)(=O)=O)c2C1=O
• InChI: InChI=1S/C26H31N7O5S/c1-13(15-3-4-15)32-12-17-9-16(10-20(21(17)26(32)36)31-39(2,37)38)19-5-6-33-24(29-19)22(23(27)30-33)25(35)28-11-14-7-18(34)8-14/h5-6,9-10,13-15,18,31,34H,3-4,7-8,11-12H2,1-2H3,(H2,27,30)(H,28,35)/t13-,14?,18?/m0/s1
• InChIKey: DWNDRGLKSWRRHF-VNSJNIRKSA-N
• XLogP: 1.61
• TPSA: 172.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.65
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384182) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NCC5CC(O)C5)c4n3)cc(NS(C)(=O)=O)c2C1=O.

What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DWNDRGLKSWRRHF-VNSJNIRKSA-N. The full InChI is InChI=1S/C26H31N7O5S/c1-13(15-3-4-15)32-12-17-9-16(10-20(21(17)26(32)36)31-39(2,37)38)19-5-6-33-24(29-19)22(23(27)30-33)25(35)28-11-14-7-18(34)8-14/h5-6,9-10,13-15,18,31,34H,3-4,7-8,11-12H2,1-2H3,(H2,27,30)(H,28,35)/t13-,14?,18?/m0/s1.

What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 553.65 g/mol, XLogP of 1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(3-hydroxycyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).