1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C70H70F2N20O4 — CID 139543540

IUPAC1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3cc4c(-c5cnn(C)c5)nn(CC5CC5c5nc(-c6ccnc7c6cc(-c6ccn(C)n6)n7CC6CC6c6nc(-c7cc8c(-c9c(C)noc9C)nn(C)c8cc7F)c7n6CCN(C(C)=O)C7)c6n5CCN(C(C)=O)C6)c4cc3F)c2C1
InChIInChI=1S/C70H70F2N20O4/c1-35-61(36(2)96-81-35)66-50-23-48(52(71)26-55(50)84(8)79-66)65-60-34-87(39(5)95)17-20-90(60)69(77-65)45-21-41(45)30-91-57(54-12-14-82(6)78-54)25-47-44(11-13-73-68(47)91)63-58-32-86(38(4)94)16-19-89(58)70(76-63)46-22-42(46)31-92-56-27-53(72)49(24-51(56)62(80-92)43-28-74-83(7)29-43)64-59-33-85(37(3)93)15-18-88(59)67(75-64)40-9-10-40/h11-14,23-29,40-42,45-46H,9-10,15-22,30-34H2,1-8H3
InChIKeyNAVRWVSDQWKOES-UHFFFAOYSA-N
MW1293.46 g/mol
LogP9.79
Rot. Bonds13

About 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139543540) has the molecular formula C70H70F2N20O4 and a molecular weight of 1293.46 g/mol. Its IUPAC name is 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139543540
Molecular FormulaC70H70F2N20O4
Molecular Weight1293.46 g/mol
Exact Mass1292.59
IUPAC Name1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3cc4c(-c5cnn(C)c5)nn(CC5CC5c5nc(-c6ccnc7c6cc(-c6ccn(C)n6)n7CC6CC6c6nc(-c7cc8c(-c9c(C)noc9C)nn(C)c8cc7F)c7n6CCN(C(C)=O)C7)c6n5CCN(C(C)=O)C6)c4cc3F)c2C1
InChIInChI=1S/C70H70F2N20O4/c1-35-61(36(2)96-81-35)66-50-23-48(52(71)26-55(50)84(8)79-66)65-60-34-87(39(5)95)17-20-90(60)69(77-65)45-21-41(45)30-91-57(54-12-14-82(6)78-54)25-47-44(11-13-73-68(47)91)63-58-32-86(38(4)94)16-19-89(58)70(76-63)46-22-42(46)31-92-56-27-53(72)49(24-51(56)62(80-92)43-28-74-83(7)29-43)64-59-33-85(37(3)93)15-18-88(59)67(75-64)40-9-10-40/h11-14,23-29,40-42,45-46H,9-10,15-22,30-34H2,1-8H3
InChIKeyNAVRWVSDQWKOES-UHFFFAOYSA-N
XLogP9.79
TPSA229.52 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.46
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139543540) is 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(-c3cc4c(-c5cnn(C)c5)nn(CC5CC5c5nc(-c6ccnc7c6cc(-c6ccn(C)n6)n7CC6CC6c6nc(-c7cc8c(-c9c(C)noc9C)nn(C)c8cc7F)c7n6CCN(C(C)=O)C7)c6n5CCN(C(C)=O)C6)c4cc3F)c2C1.
What is the InChIKey of 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is NAVRWVSDQWKOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70F2N20O4/c1-35-61(36(2)96-81-35)66-50-23-48(52(71)26-55(50)84(8)79-66)65-60-34-87(39(5)95)17-20-90(60)69(77-65)45-21-41(45)30-91-57(54-12-14-82(6)78-54)25-47-44(11-13-73-68(47)91)63-58-32-86(38(4)94)16-19-89(58)70(76-63)46-22-42(46)31-92-56-27-53(72)49(24-51(56)62(80-92)43-28-74-83(7)29-43)64-59-33-85(37(3)93)15-18-88(59)67(75-64)40-9-10-40/h11-14,23-29,40-42,45-46H,9-10,15-22,30-34H2,1-8H3.
What are the key properties of 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 1293.46 g/mol, XLogP of 9.79, 13 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139543540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).