1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C16H14F3N7O2 — CID 118357059

IUPAC1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1
InChIInChI=1S/C16H14F3N7O2/c17-16(18,19)8-21-15(28)10-3-4-26(24-10)13-7-25-6-11(22-12(25)5-20-13)23-14(27)9-1-2-9/h3-7,9H,1-2,8H2,(H,21,28)(H,23,27)
InChIKeyGKOVDXNZWUSGDB-UHFFFAOYSA-N
MW393.33 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 118357059) has the molecular formula C16H14F3N7O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID118357059
Molecular FormulaC16H14F3N7O2
Molecular Weight393.33 g/mol
Exact Mass393.12
IUPAC Name1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1
InChIInChI=1S/C16H14F3N7O2/c17-16(18,19)8-21-15(28)10-3-4-26(24-10)13-7-25-6-11(22-12(25)5-20-13)23-14(27)9-1-2-9/h3-7,9H,1-2,8H2,(H,21,28)(H,23,27)
InChIKeyGKOVDXNZWUSGDB-UHFFFAOYSA-N
XLogP1.56
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-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 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 118357059) is 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is O=C(NCC(F)(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1.
What is the InChIKey of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is GKOVDXNZWUSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O2/c17-16(18,19)8-21-15(28)10-3-4-26(24-10)13-7-25-6-11(22-12(25)5-20-13)23-14(27)9-1-2-9/h3-7,9H,1-2,8H2,(H,21,28)(H,23,27).
What are the key properties of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118357059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).