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

C80H82F9N19 — CID 154970541

IUPAC(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(-c2ccc(Cc3nc(-c4ccc(Cc5nc(-c6cccnc6C(C)C)c6n5CCN(c5ccc(-c7nc(C(F)(F)F)cn7C)cc5)C6C)nc4C(C)C)c4n3CCN(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)[C@@H]4C)nc2C(C)C)c2n1CCN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)[C@H]2C
InChIInChI=1S/C80H82F9N19/c1-43(2)66-57(15-14-30-90-66)70-73-46(7)103(55-23-16-50(17-24-55)75-95-60(40-100(75)11)78(81,82)83)31-35-107(73)64(98-70)37-54-22-28-59(68(94-54)45(5)6)71-74-47(8)104(56-25-18-51(19-26-56)76-96-61(41-101(76)12)79(84,85)86)32-36-108(74)65(99-71)38-53-21-27-58(67(93-53)44(3)4)69-72-48(9)105(33-34-106(72)49(10)92-69)63-29-20-52(39-91-63)77-97-62(42-102(77)13)80(87,88)89/h14-30,39-48H,31-38H2,1-13H3/t46?,47-,48+/m1/s1
InChIKeyXUODTDIEVRMWOD-CTLLLPSTSA-N
MW1480.65 g/mol
LogP17.72
Rot. Bonds16

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

(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 154970541) has the molecular formula C80H82F9N19 and a molecular weight of 1480.65 g/mol. Its IUPAC name is (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID154970541
Molecular FormulaC80H82F9N19
Molecular Weight1480.65 g/mol
Exact Mass1479.69
IUPAC Name(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(-c2ccc(Cc3nc(-c4ccc(Cc5nc(-c6cccnc6C(C)C)c6n5CCN(c5ccc(-c7nc(C(F)(F)F)cn7C)cc5)C6C)nc4C(C)C)c4n3CCN(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)[C@@H]4C)nc2C(C)C)c2n1CCN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)[C@H]2C
InChIInChI=1S/C80H82F9N19/c1-43(2)66-57(15-14-30-90-66)70-73-46(7)103(55-23-16-50(17-24-55)75-95-60(40-100(75)11)78(81,82)83)31-35-107(73)64(98-70)37-54-22-28-59(68(94-54)45(5)6)71-74-47(8)104(56-25-18-51(19-26-56)76-96-61(41-101(76)12)79(84,85)86)32-36-108(74)65(99-71)38-53-21-27-58(67(93-53)44(3)4)69-72-48(9)105(33-34-106(72)49(10)92-69)63-29-20-52(39-91-63)77-97-62(42-102(77)13)80(87,88)89/h14-30,39-48H,31-38H2,1-13H3/t46?,47-,48+/m1/s1
InChIKeyXUODTDIEVRMWOD-CTLLLPSTSA-N
XLogP17.72
TPSA168.20 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.65
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 154970541) is (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(-c2ccc(Cc3nc(-c4ccc(Cc5nc(-c6cccnc6C(C)C)c6n5CCN(c5ccc(-c7nc(C(F)(F)F)cn7C)cc5)C6C)nc4C(C)C)c4n3CCN(c3ccc(-c5nc(C(F)(F)F)cn5C)cc3)[C@@H]4C)nc2C(C)C)c2n1CCN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)[C@H]2C.
What is the InChIKey of (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is XUODTDIEVRMWOD-CTLLLPSTSA-N. The full InChI is InChI=1S/C80H82F9N19/c1-43(2)66-57(15-14-30-90-66)70-73-46(7)103(55-23-16-50(17-24-55)75-95-60(40-100(75)11)78(81,82)83)31-35-107(73)64(98-70)37-54-22-28-59(68(94-54)45(5)6)71-74-47(8)104(56-25-18-51(19-26-56)76-96-61(41-101(76)12)79(84,85)86)32-36-108(74)65(99-71)38-53-21-27-58(67(93-53)44(3)4)69-72-48(9)105(33-34-106(72)49(10)92-69)63-29-20-52(39-91-63)77-97-62(42-102(77)13)80(87,88)89/h14-30,39-48H,31-38H2,1-13H3/t46?,47-,48+/m1/s1.
What are the key properties of (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 1480.65 g/mol, XLogP of 17.72, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-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]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 154970541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).