N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride

C27H25ClF7N5O2 — CID 174608414

IUPACN-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(NC(=O)C4CC4)c(F)c3)c2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C27H24F7N5O2.ClH/c28-17-11-19(30)18(29)9-15(17)7-16(35)10-23(40)38-5-6-39-22(12-38)24(37-26(39)27(32,33)34)14-3-4-21(20(31)8-14)36-25(41)13-1-2-13;/h3-4,8-9,11,13,16H,1-2,5-7,10,12,35H2,(H,36,41);1H/t16-;/m1./s1
InChIKeyMONUHYLVTXCCES-PKLMIRHRSA-N
MW619.97 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride

N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 174608414) has the molecular formula C27H25ClF7N5O2 and a molecular weight of 619.97 g/mol. Its IUPAC name is N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID174608414
Molecular FormulaC27H25ClF7N5O2
Molecular Weight619.97 g/mol
Exact Mass619.16
IUPAC NameN-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(NC(=O)C4CC4)c(F)c3)c2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C27H24F7N5O2.ClH/c28-17-11-19(30)18(29)9-15(17)7-16(35)10-23(40)38-5-6-39-22(12-38)24(37-26(39)27(32,33)34)14-3-4-21(20(31)8-14)36-25(41)13-1-2-13;/h3-4,8-9,11,13,16H,1-2,5-7,10,12,35H2,(H,36,41);1H/t16-;/m1./s1
InChIKeyMONUHYLVTXCCES-PKLMIRHRSA-N
XLogP5.20
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.97
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

(3R)-3-amino-1-[1-(4-butan-2-yl-3-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 143807617
(3R)-3-amino-1-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 44515257
(3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44516186
N-[5-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-pyridinyl]acetamide
CID 75038460
1-acetyl-N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
CID 158251845
3-amino-1-[1-thiophen-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 174608491
3-amino-1-[1-(3-fluoro-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 75039483
(3R)-3-amino-1-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44516184
(3R)-3-amino-1-[1-pyridin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid
CID 56650988
N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride
CID 174601891
3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 74947083
N-[7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]formamide
CID 75038466

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride (CID 174608414) is N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride is Cl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(NC(=O)C4CC4)c(F)c3)c2C1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is MONUHYLVTXCCES-PKLMIRHRSA-N. The full InChI is InChI=1S/C27H24F7N5O2.ClH/c28-17-11-19(30)18(29)9-15(17)7-16(35)10-23(40)38-5-6-39-22(12-38)24(37-26(39)27(32,33)34)14-3-4-21(20(31)8-14)36-25(41)13-1-2-13;/h3-4,8-9,11,13,16H,1-2,5-7,10,12,35H2,(H,36,41);1H/t16-;/m1./s1.
What are the key properties of N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 619.97 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 174608414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).