1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea

C19H19F3N8O2 — CID 172625429

IUPAC1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea
SMILESCn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5cncc(C(F)(F)F)n5)C4)C3)c12
InChIInChI=1S/C19H19F3N8O2/c1-28-2-3-30-15(28)12(6-24-30)16(31)29-9-18(10-29)4-11(5-18)25-17(32)27-14-8-23-7-13(26-14)19(20,21)22/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,25,26,27,32)
InChIKeyAYBKTWMTIMVSEG-UHFFFAOYSA-N
MW448.41 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea

1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea (PubChem CID 172625429) has the molecular formula C19H19F3N8O2 and a molecular weight of 448.41 g/mol. Its IUPAC name is 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea
PubChem CID172625429
Molecular FormulaC19H19F3N8O2
Molecular Weight448.41 g/mol
Exact Mass448.16
IUPAC Name1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea
SMILESCn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5cncc(C(F)(F)F)n5)C4)C3)c12
InChIInChI=1S/C19H19F3N8O2/c1-28-2-3-30-15(28)12(6-24-30)16(31)29-9-18(10-29)4-11(5-18)25-17(32)27-14-8-23-7-13(26-14)19(20,21)22/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,25,26,27,32)
InChIKeyAYBKTWMTIMVSEG-UHFFFAOYSA-N
XLogP1.91
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea 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-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea?
The IUPAC name of 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea (CID 172625429) is 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea.
What is the SMILES notation for 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea?
The canonical SMILES for 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea is Cn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5cncc(C(F)(F)F)n5)C4)C3)c12.
What is the InChIKey of 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea?
The InChIKey is AYBKTWMTIMVSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8O2/c1-28-2-3-30-15(28)12(6-24-30)16(31)29-9-18(10-29)4-11(5-18)25-17(32)27-14-8-23-7-13(26-14)19(20,21)22/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,25,26,27,32).
What are the key properties of 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea?
1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea has a molecular weight of 448.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[6-(trifluoromethyl)pyrazin-2-yl]urea is sourced from PubChem (CID 172625429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).