N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide

C30H30F3N7O3 — CID 71222792

About N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide

N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide (PubChem CID 71222792) has the molecular formula C30H30F3N7O3 and a molecular weight of 593.61 g/mol. Its IUPAC name is N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide
• PubChem CID: 71222792
• Molecular Formula: C30H30F3N7O3
• Molecular Weight: 593.61 g/mol
• Exact Mass: 593.24
• IUPAC Name: N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide
• SMILES: CC1(C(=O)NC2CCCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1
• InChI: InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41)
• InChIKey: HZDBEXIKODAUAJ-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 136.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide?

The IUPAC name of N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide (CID 71222792) is N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide.

What is the SMILES notation for N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide?

The canonical SMILES for N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)NC2CCCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1.

What is the InChIKey of N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide?

The InChIKey is HZDBEXIKODAUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41).

What are the key properties of N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide?

N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide has a molecular weight of 593.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 71222792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).