2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H24F3N7O3 — CID 155383549

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)cn1
InChIInChI=1S/C27H24F3N7O3/c1-13-3-6-18(11-32-13)33-25(38)22-23(31)35-37-8-7-19(34-24(22)37)16-9-17-12-36(14(2)15-4-5-15)26(39)21(17)20(10-16)40-27(28,29)30/h3,6-11,14-15H,4-5,12H2,1-2H3,(H2,31,35)(H,33,38)/t14-/m0/s1
InChIKeyDWHXMJBXRONKKH-AWEZNQCLSA-N
MW551.53 g/mol
LogP4.59
Rot. Bonds6

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155383549) has the molecular formula C27H24F3N7O3 and a molecular weight of 551.53 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)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-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155383549
Molecular FormulaC27H24F3N7O3
Molecular Weight551.53 g/mol
Exact Mass551.19
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)cn1
InChIInChI=1S/C27H24F3N7O3/c1-13-3-6-18(11-32-13)33-25(38)22-23(31)35-37-8-7-19(34-24(22)37)16-9-17-12-36(14(2)15-4-5-15)26(39)21(17)20(10-16)40-27(28,29)30/h3,6-11,14-15H,4-5,12H2,1-2H3,(H2,31,35)(H,33,38)/t14-/m0/s1
InChIKeyDWHXMJBXRONKKH-AWEZNQCLSA-N
XLogP4.59
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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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-(6-methyl-3-pyridinyl)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-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155383549) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)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-(6-methyl-3-pyridinyl)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-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2c(N)nn3ccc(-c4cc5c(c(OC(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)cn1.
What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DWHXMJBXRONKKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C27H24F3N7O3/c1-13-3-6-18(11-32-13)33-25(38)22-23(31)35-37-8-7-19(34-24(22)37)16-9-17-12-36(14(2)15-4-5-15)26(39)21(17)20(10-16)40-27(28,29)30/h3,6-11,14-15H,4-5,12H2,1-2H3,(H2,31,35)(H,33,38)/t14-/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 551.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 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-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155383549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).