2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H37N7O5S — CID 155384041

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC(C6(O)CC6)CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O
InChIInChI=1S/C30H37N7O5S/c1-16(17-3-4-17)36-15-19-13-18(14-23(24(19)29(36)39)35-43(2,41)42)22-9-12-37-27(33-22)25(26(31)34-37)28(38)32-21-7-5-20(6-8-21)30(40)10-11-30/h9,12-14,16-17,20-21,35,40H,3-8,10-11,15H2,1-2H3,(H2,31,34)(H,32,38)/t16-,20?,21?/m0/s1
InChIKeyUNDKUYQFKKFPQV-ATIQYGATSA-N
MW607.74 g/mol
LogP2.92
Rot. Bonds8

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384041) has the molecular formula C30H37N7O5S and a molecular weight of 607.74 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155384041
Molecular FormulaC30H37N7O5S
Molecular Weight607.74 g/mol
Exact Mass607.26
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC(C6(O)CC6)CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O
InChIInChI=1S/C30H37N7O5S/c1-16(17-3-4-17)36-15-19-13-18(14-23(24(19)29(36)39)35-43(2,41)42)22-9-12-37-27(33-22)25(26(31)34-37)28(38)32-21-7-5-20(6-8-21)30(40)10-11-30/h9,12-14,16-17,20-21,35,40H,3-8,10-11,15H2,1-2H3,(H2,31,34)(H,32,38)/t16-,20?,21?/m0/s1
InChIKeyUNDKUYQFKKFPQV-ATIQYGATSA-N
XLogP2.92
TPSA172.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.74
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[4-(1-hydroxycyclopropyl)cyclohexyl]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-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384041) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]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-[4-(1-hydroxycyclopropyl)cyclohexyl]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-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC(C6(O)CC6)CC5)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-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UNDKUYQFKKFPQV-ATIQYGATSA-N. The full InChI is InChI=1S/C30H37N7O5S/c1-16(17-3-4-17)36-15-19-13-18(14-23(24(19)29(36)39)35-43(2,41)42)22-9-12-37-27(33-22)25(26(31)34-37)28(38)32-21-7-5-20(6-8-21)30(40)10-11-30/h9,12-14,16-17,20-21,35,40H,3-8,10-11,15H2,1-2H3,(H2,31,34)(H,32,38)/t16-,20?,21?/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 607.74 g/mol, XLogP of 2.92, 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-[4-(1-hydroxycyclopropyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).