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

C23H24F3N7O4S — CID 155384097

IUPAC2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F
InChIInChI=1S/C23H24F3N7O4S/c1-3-16(23(24,25)26)32-10-12-8-11(9-15(17(12)22(32)35)31-38(2,36)37)14-6-7-33-20(29-14)18(19(27)30-33)21(34)28-13-4-5-13/h6-9,13,16,31H,3-5,10H2,1-2H3,(H2,27,30)(H,28,34)/t16-/m0/s1
InChIKeyPKKGUQHKALIMOX-INIZCTEOSA-N
MW551.55 g/mol
LogP2.54
Rot. Bonds7

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

2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384097) has the molecular formula C23H24F3N7O4S and a molecular weight of 551.55 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155384097
Molecular FormulaC23H24F3N7O4S
Molecular Weight551.55 g/mol
Exact Mass551.16
IUPAC Name2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F
InChIInChI=1S/C23H24F3N7O4S/c1-3-16(23(24,25)26)32-10-12-8-11(9-15(17(12)22(32)35)31-38(2,36)37)14-6-7-33-20(29-14)18(19(27)30-33)21(34)28-13-4-5-13/h6-9,13,16,31H,3-5,10H2,1-2H3,(H2,27,30)(H,28,34)/t16-/m0/s1
InChIKeyPKKGUQHKALIMOX-INIZCTEOSA-N
XLogP2.54
TPSA151.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.55
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

B-Raf IN 1
CID 24884503
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-(3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155384028
Ripk1-IN-19
CID 168007916
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155384065
CID 155384071
CID 155384071
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155384201
(2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylcarbamoyl)-1-oxo-3-(4-{pyrazolo[1,5-a]pyrimidin-5-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895726
5-[2-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 154700581
N-[(1S)-1-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propyl]-5-ethyl-2-(methanesulfonamido)-N-methylbenzamide
CID 140311614
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[7-(methylsulfamoyl)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168271242
N-(3-(3-(2-(2-(dimethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880020
N-(3-(3-(4-(2-(dimethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880077

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384097) is 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F.
What is the InChIKey of 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PKKGUQHKALIMOX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24F3N7O4S/c1-3-16(23(24,25)26)32-10-12-8-11(9-15(17(12)22(32)35)31-38(2,36)37)14-6-7-33-20(29-14)18(19(27)30-33)21(34)28-13-4-5-13/h6-9,13,16,31H,3-5,10H2,1-2H3,(H2,27,30)(H,28,34)/t16-/m0/s1.
What are the key properties of 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 551.55 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).