2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H28F3N7O3 — CID 155735635

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[H]/N=C1\CCC[C@@H](NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)C1
InChIInChI=1S/C27H28F3N7O3/c1-13(14-5-6-14)36-12-16-9-15(10-20(21(16)26(36)39)40-27(28,29)30)19-7-8-37-24(34-19)22(23(32)35-37)25(38)33-18-4-2-3-17(31)11-18/h7-10,13-14,18,31H,2-6,11-12H2,1H3,(H2,32,35)(H,33,38)/b31-17+/t13-,18+/m0/s1
InChIKeyKXQROJOBQUISER-VLAVLRTISA-N
MW555.56 g/mol
LogP4.32
Rot. Bonds6

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

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155735635) has the molecular formula C27H28F3N7O3 and a molecular weight of 555.56 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155735635
Molecular FormulaC27H28F3N7O3
Molecular Weight555.56 g/mol
Exact Mass555.22
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[H]/N=C1\CCC[C@@H](NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)C1
InChIInChI=1S/C27H28F3N7O3/c1-13(14-5-6-14)36-12-16-9-15(10-20(21(16)26(36)39)40-27(28,29)30)19-7-8-37-24(34-19)22(23(32)35-37)25(38)33-18-4-2-3-17(31)11-18/h7-10,13-14,18,31H,2-6,11-12H2,1H3,(H2,32,35)(H,33,38)/b31-17+/t13-,18+/m0/s1
InChIKeyKXQROJOBQUISER-VLAVLRTISA-N
XLogP4.32
TPSA138.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.56
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]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

Related Compounds

Bay-1217389
CID 78320750
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
PI3K|A inhibitor 5
CID 155384203
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
4-N-cyclopropyl-5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414917
N-cyclopropyl-4-[5-(2,3-difluoro-4-methoxyphenoxy)-7-(3,3,3-trifluoropropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 156015586
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89842245
N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 90176154

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155735635) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [H]/N=C1\CCC[C@@H](NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)C1.
What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KXQROJOBQUISER-VLAVLRTISA-N. The full InChI is InChI=1S/C27H28F3N7O3/c1-13(14-5-6-14)36-12-16-9-15(10-20(21(16)26(36)39)40-27(28,29)30)19-7-8-37-24(34-19)22(23(32)35-37)25(38)33-18-4-2-3-17(31)11-18/h7-10,13-14,18,31H,2-6,11-12H2,1H3,(H2,32,35)(H,33,38)/b31-17+/t13-,18+/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 555.56 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-3-iminocyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155735635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).