2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid

C26H23F3N6O3 — CID 145114131

About 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid

2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid (PubChem CID 145114131) has the molecular formula C26H23F3N6O3 and a molecular weight of 524.50 g/mol. Its IUPAC name is 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid
• PubChem CID: 145114131
• Molecular Formula: C26H23F3N6O3
• Molecular Weight: 524.50 g/mol
• Exact Mass: 524.18
• IUPAC Name: 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid
• SMILES: Nc1nccn2c([C@@H]3CCC(CC(=O)O)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14?,17-/m1/s1
• InChIKey: OJKCSLPTAULNTD-FBMWCMRBSA-N
• XLogP: 5.00
• TPSA: 135.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid?

The IUPAC name of 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid (CID 145114131) is 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid.

What is the SMILES notation for 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid?

The canonical SMILES for 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid is Nc1nccn2c([C@@H]3CCC(CC(=O)O)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.

What is the InChIKey of 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid?

The InChIKey is OJKCSLPTAULNTD-FBMWCMRBSA-N. The full InChI is InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14?,17-/m1/s1.

What are the key properties of 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid?

2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid has a molecular weight of 524.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid is sourced from PubChem (CID 145114131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).