(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C54H56F6N12 — CID 154970575

IUPAC(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(-c2ccc(Cc3nc(-c4cccnc4C(C)C)c4n3CC(C)N(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)C4)nc2C(C)C)c2n1C[C@H](C)N(c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C2
InChIInChI=1S/C54H56F6N12/c1-30(2)47-40(11-10-22-61-47)50-43-27-70(39-19-14-36(15-20-39)52-65-45(29-68(52)9)54(58,59)60)33(6)25-72(43)46(66-50)23-37-16-21-41(48(63-37)31(3)4)49-42-26-69(32(5)24-71(42)34(7)62-49)38-17-12-35(13-18-38)51-64-44(28-67(51)8)53(55,56)57/h10-22,28-33H,23-27H2,1-9H3/t32-,33?/m0/s1
InChIKeyJCEHHKHUAJEUKH-JEFWXSHNSA-N
MW987.11 g/mol
LogP12.01
Rot. Bonds10

About (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 154970575) has the molecular formula C54H56F6N12 and a molecular weight of 987.11 g/mol. Its IUPAC name is (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID154970575
Molecular FormulaC54H56F6N12
Molecular Weight987.11 g/mol
Exact Mass986.47
IUPAC Name(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(-c2ccc(Cc3nc(-c4cccnc4C(C)C)c4n3CC(C)N(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)C4)nc2C(C)C)c2n1C[C@H](C)N(c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C2
InChIInChI=1S/C54H56F6N12/c1-30(2)47-40(11-10-22-61-47)50-43-27-70(39-19-14-36(15-20-39)52-65-45(29-68(52)9)54(58,59)60)33(6)25-72(43)46(66-50)23-37-16-21-41(48(63-37)31(3)4)49-42-26-69(32(5)24-71(42)34(7)62-49)38-17-12-35(13-18-38)51-64-44(28-67(51)8)53(55,56)57/h10-22,28-33H,23-27H2,1-9H3/t32-,33?/m0/s1
InChIKeyJCEHHKHUAJEUKH-JEFWXSHNSA-N
XLogP12.01
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500987.11
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 154970575) is (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(-c2ccc(Cc3nc(-c4cccnc4C(C)C)c4n3CC(C)N(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)C4)nc2C(C)C)c2n1C[C@H](C)N(c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C2.
What is the InChIKey of (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is JCEHHKHUAJEUKH-JEFWXSHNSA-N. The full InChI is InChI=1S/C54H56F6N12/c1-30(2)47-40(11-10-22-61-47)50-43-27-70(39-19-14-36(15-20-39)52-65-45(29-68(52)9)54(58,59)60)33(6)25-72(43)46(66-50)23-37-16-21-41(48(63-37)31(3)4)49-42-26-69(32(5)24-71(42)34(7)62-49)38-17-12-35(13-18-38)51-64-44(28-67(51)8)53(55,56)57/h10-22,28-33H,23-27H2,1-9H3/t32-,33?/m0/s1.
What are the key properties of (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 987.11 g/mol, XLogP of 12.01, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 154970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).