N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C26H19F3N8O — CID 146312060

IUPACN-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
InChIInChI=1S/C26H19F3N8O/c1-16-3-5-19(35-25(38)18-7-8-30-22(12-18)26(27,28)29)11-17(16)4-6-21-14-32-24-23(31-9-10-37(21)24)34-20-13-33-36(2)15-20/h3,5,7-15H,1-2H3,(H,31,34)(H,35,38)
InChIKeyBDHJKYLJPYEWOX-UHFFFAOYSA-N
MW516.49 g/mol
LogP4.58
Rot. Bonds4

About N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 146312060) has the molecular formula C26H19F3N8O and a molecular weight of 516.49 g/mol. Its IUPAC name is N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID146312060
Molecular FormulaC26H19F3N8O
Molecular Weight516.49 g/mol
Exact Mass516.16
IUPAC NameN-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
InChIInChI=1S/C26H19F3N8O/c1-16-3-5-19(35-25(38)18-7-8-30-22(12-18)26(27,28)29)11-17(16)4-6-21-14-32-24-23(31-9-10-37(21)24)34-20-13-33-36(2)15-20/h3,5,7-15H,1-2H3,(H,31,34)(H,35,38)
InChIKeyBDHJKYLJPYEWOX-UHFFFAOYSA-N
XLogP4.58
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 146312060) is N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12.
What is the InChIKey of N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is BDHJKYLJPYEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N8O/c1-16-3-5-19(35-25(38)18-7-8-30-22(12-18)26(27,28)29)11-17(16)4-6-21-14-32-24-23(31-9-10-37(21)24)34-20-13-33-36(2)15-20/h3,5,7-15H,1-2H3,(H,31,34)(H,35,38).
What are the key properties of N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 516.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 146312060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).