4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide

C32H37F3N8O — CID 123428314

IUPAC4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
SMILESCn1ncc2c1CCCC2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)CCN3C3CCCC3)cc2)c2c(N)nccn12
InChIInChI=1S/C32H37F3N8O/c1-41-25-8-4-7-23(24(25)18-38-41)30-40-27(28-29(36)37-14-16-43(28)30)19-9-11-20(12-10-19)31(44)39-26-17-21(32(33,34)35)13-15-42(26)22-5-2-3-6-22/h9-12,14,16,18,21-23,26H,2-8,13,15,17H2,1H3,(H2,36,37)(H,39,44)
InChIKeyKFPHPGAXNGJWEV-UHFFFAOYSA-N
MW606.70 g/mol
LogP5.45
Rot. Bonds5

About 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide

4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (PubChem CID 123428314) has the molecular formula C32H37F3N8O and a molecular weight of 606.70 g/mol. Its IUPAC name is 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
PubChem CID123428314
Molecular FormulaC32H37F3N8O
Molecular Weight606.70 g/mol
Exact Mass606.30
IUPAC Name4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
SMILESCn1ncc2c1CCCC2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)CCN3C3CCCC3)cc2)c2c(N)nccn12
InChIInChI=1S/C32H37F3N8O/c1-41-25-8-4-7-23(24(25)18-38-41)30-40-27(28-29(36)37-14-16-43(28)30)19-9-11-20(12-10-19)31(44)39-26-17-21(32(33,34)35)13-15-42(26)22-5-2-3-6-22/h9-12,14,16,18,21-23,26H,2-8,13,15,17H2,1H3,(H2,36,37)(H,39,44)
InChIKeyKFPHPGAXNGJWEV-UHFFFAOYSA-N
XLogP5.45
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.70
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The IUPAC name of 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (CID 123428314) is 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide.
What is the SMILES notation for 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The canonical SMILES for 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is Cn1ncc2c1CCCC2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)CCN3C3CCCC3)cc2)c2c(N)nccn12.
What is the InChIKey of 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The InChIKey is KFPHPGAXNGJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N8O/c1-41-25-8-4-7-23(24(25)18-38-41)30-40-27(28-29(36)37-14-16-43(28)30)19-9-11-20(12-10-19)31(44)39-26-17-21(32(33,34)35)13-15-42(26)22-5-2-3-6-22/h9-12,14,16,18,21-23,26H,2-8,13,15,17H2,1H3,(H2,36,37)(H,39,44).
What are the key properties of 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide has a molecular weight of 606.70 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[1-cyclopentyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is sourced from PubChem (CID 123428314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).