1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C55H66N12O4 — CID 139556379

IUPAC1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CCC6CCOCC6C6Cc7cc(-c8cnn(CCO)c8)ccc7N(c7nc(C8CC8)n8c7CN(C(C)=O)CC8)C6)c5)ccc43)c2C1
InChIInChI=1S/C55H66N12O4/c1-35(69)60-17-19-65-50(32-60)54(58-52(65)38-5-6-38)64-15-3-4-42-24-40(9-11-48(42)64)45-27-56-62(29-45)16-13-37-14-23-71-34-47(37)44-26-43-25-41(46-28-57-63(30-46)21-22-68)10-12-49(43)67(31-44)55-51-33-61(36(2)70)18-20-66(51)53(59-55)39-7-8-39/h9-12,24-25,27-30,37-39,44,47,68H,3-8,13-23,26,31-34H2,1-2H3
InChIKeyZZFUJZIVYZAWOK-UHFFFAOYSA-N
MW959.21 g/mol
LogP7.42
Rot. Bonds12

About 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139556379) has the molecular formula C55H66N12O4 and a molecular weight of 959.21 g/mol. Its IUPAC name is 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139556379
Molecular FormulaC55H66N12O4
Molecular Weight959.21 g/mol
Exact Mass958.53
IUPAC Name1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CCC6CCOCC6C6Cc7cc(-c8cnn(CCO)c8)ccc7N(c7nc(C8CC8)n8c7CN(C(C)=O)CC8)C6)c5)ccc43)c2C1
InChIInChI=1S/C55H66N12O4/c1-35(69)60-17-19-65-50(32-60)54(58-52(65)38-5-6-38)64-15-3-4-42-24-40(9-11-48(42)64)45-27-56-62(29-45)16-13-37-14-23-71-34-47(37)44-26-43-25-41(46-28-57-63(30-46)21-22-68)10-12-49(43)67(31-44)55-51-33-61(36(2)70)18-20-66(51)53(59-55)39-7-8-39/h9-12,24-25,27-30,37-39,44,47,68H,3-8,13-23,26,31-34H2,1-2H3
InChIKeyZZFUJZIVYZAWOK-UHFFFAOYSA-N
XLogP7.42
TPSA147.84 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.21
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-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-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139556379) is 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(CCC6CCOCC6C6Cc7cc(-c8cnn(CCO)c8)ccc7N(c7nc(C8CC8)n8c7CN(C(C)=O)CC8)C6)c5)ccc43)c2C1.
What is the InChIKey of 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is ZZFUJZIVYZAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H66N12O4/c1-35(69)60-17-19-65-50(32-60)54(58-52(65)38-5-6-38)64-15-3-4-42-24-40(9-11-48(42)64)45-27-56-62(29-45)16-13-37-14-23-71-34-47(37)44-26-43-25-41(46-28-57-63(30-46)21-22-68)10-12-49(43)67(31-44)55-51-33-61(36(2)70)18-20-66(51)53(59-55)39-7-8-39/h9-12,24-25,27-30,37-39,44,47,68H,3-8,13-23,26,31-34H2,1-2H3.
What are the key properties of 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 959.21 g/mol, XLogP of 7.42, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[1-[2-[3-[1-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-3-yl]oxan-4-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139556379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).