[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate

C79H84Cl2F2N16O6 — CID 167225408

IUPAC[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate
SMILESCCc1ccc(NC(=O)Oc2cc(N3CCc4c(nc(OC[C@@H]5CC(CC(C)c6ccc(NC(=O)Oc7cc(N8CCc9c(nc(OC[C@@H]%10CCCN%10C)nc9N9Cc%10c(F)ncn%10C[C@H]9C)C8)c8c(Cl)cccc8c7)cc6)CN5C)nc4N4Cc5c(F)ncn5C[C@H]4C)C3)c3c(Cl)cccc3c2)cc1
InChIInChI=1S/C79H84Cl2F2N16O6/c1-7-49-16-20-54(21-17-49)86-78(100)104-58-31-52-11-8-14-62(80)70(52)66(33-58)95-28-25-61-65(39-95)89-77(91-75(61)99-41-69-73(83)85-45-97(69)36-48(99)4)103-43-57-30-50(37-93(57)6)29-46(2)51-18-22-55(23-19-51)87-79(101)105-59-32-53-12-9-15-63(81)71(53)67(34-59)94-27-24-60-64(38-94)88-76(102-42-56-13-10-26-92(56)5)90-74(60)98-40-68-72(82)84-44-96(68)35-47(98)3/h8-9,11-12,14-23,31-34,44-48,50,56-57H,7,10,13,24-30,35-43H2,1-6H3,(H,86,100)(H,87,101)/t46?,47-,48-,50?,56+,57+/m1/s1
InChIKeyFSLLSSZZAZDUBF-VJQOCHRTSA-N
MW1462.55 g/mol
LogP14.64
Rot. Bonds18

About [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate

[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate (PubChem CID 167225408) has the molecular formula C79H84Cl2F2N16O6 and a molecular weight of 1462.55 g/mol. Its IUPAC name is [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate
PubChem CID167225408
Molecular FormulaC79H84Cl2F2N16O6
Molecular Weight1462.55 g/mol
Exact Mass1460.61
IUPAC Name[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate
SMILESCCc1ccc(NC(=O)Oc2cc(N3CCc4c(nc(OC[C@@H]5CC(CC(C)c6ccc(NC(=O)Oc7cc(N8CCc9c(nc(OC[C@@H]%10CCCN%10C)nc9N9Cc%10c(F)ncn%10C[C@H]9C)C8)c8c(Cl)cccc8c7)cc6)CN5C)nc4N4Cc5c(F)ncn5C[C@H]4C)C3)c3c(Cl)cccc3c2)cc1
InChIInChI=1S/C79H84Cl2F2N16O6/c1-7-49-16-20-54(21-17-49)86-78(100)104-58-31-52-11-8-14-62(80)70(52)66(33-58)95-28-25-61-65(39-95)89-77(91-75(61)99-41-69-73(83)85-45-97(69)36-48(99)4)103-43-57-30-50(37-93(57)6)29-46(2)51-18-22-55(23-19-51)87-79(101)105-59-32-53-12-9-15-63(81)71(53)67(34-59)94-27-24-60-64(38-94)88-76(102-42-56-13-10-26-92(56)5)90-74(60)98-40-68-72(82)84-44-96(68)35-47(98)3/h8-9,11-12,14-23,31-34,44-48,50,56-57H,7,10,13,24-30,35-43H2,1-6H3,(H,86,100)(H,87,101)/t46?,47-,48-,50?,56+,57+/m1/s1
InChIKeyFSLLSSZZAZDUBF-VJQOCHRTSA-N
XLogP14.64
TPSA201.76 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.55
LogP ≤ 514.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate?
The IUPAC name of [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate (CID 167225408) is [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate.
What is the SMILES notation for [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate?
The canonical SMILES for [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate is CCc1ccc(NC(=O)Oc2cc(N3CCc4c(nc(OC[C@@H]5CC(CC(C)c6ccc(NC(=O)Oc7cc(N8CCc9c(nc(OC[C@@H]%10CCCN%10C)nc9N9Cc%10c(F)ncn%10C[C@H]9C)C8)c8c(Cl)cccc8c7)cc6)CN5C)nc4N4Cc5c(F)ncn5C[C@H]4C)C3)c3c(Cl)cccc3c2)cc1.
What is the InChIKey of [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate?
The InChIKey is FSLLSSZZAZDUBF-VJQOCHRTSA-N. The full InChI is InChI=1S/C79H84Cl2F2N16O6/c1-7-49-16-20-54(21-17-49)86-78(100)104-58-31-52-11-8-14-62(80)70(52)66(33-58)95-28-25-61-65(39-95)89-77(91-75(61)99-41-69-73(83)85-45-97(69)36-48(99)4)103-43-57-30-50(37-93(57)6)29-46(2)51-18-22-55(23-19-51)87-79(101)105-59-32-53-12-9-15-63(81)71(53)67(34-59)94-27-24-60-64(38-94)88-76(102-42-56-13-10-26-92(56)5)90-74(60)98-40-68-72(82)84-44-96(68)35-47(98)3/h8-9,11-12,14-23,31-34,44-48,50,56-57H,7,10,13,24-30,35-43H2,1-6H3,(H,86,100)(H,87,101)/t46?,47-,48-,50?,56+,57+/m1/s1.
What are the key properties of [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate?
[5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate has a molecular weight of 1462.55 g/mol, XLogP of 14.64, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-yl] N-[4-[1-[(5S)-5-[[7-[8-chloro-3-[(4-ethylphenyl)carbamoyloxy]naphthalen-1-yl]-4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]propan-2-yl]phenyl]carbamate is sourced from PubChem (CID 167225408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).