3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C42H45N15O2 — CID 139543536

IUPAC3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(CCn3nc(-c4cnn(C)c4)c4cc(-c5nc(C)n6c5CN(C(C)=O)CC6)ccc43)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C42H45N15O2/c1-25-46-40(35-23-53(26(2)58)13-15-55(25)35)27-8-10-34-32(18-27)39(30-20-45-51(5)22-30)49-57(34)12-11-37-47-41(36-24-54(42(59)43-3)14-16-56(36)37)28-7-9-33-31(17-28)38(48-52(33)6)29-19-44-50(4)21-29/h7-10,17-22H,11-16,23-24H2,1-6H3,(H,43,59)
InChIKeyWFIPODDPOWXCKS-UHFFFAOYSA-N
MW791.93 g/mol
LogP4.52
Rot. Bonds7

About 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543536) has the molecular formula C42H45N15O2 and a molecular weight of 791.93 g/mol. Its IUPAC name is 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139543536
Molecular FormulaC42H45N15O2
Molecular Weight791.93 g/mol
Exact Mass791.39
IUPAC Name3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(CCn3nc(-c4cnn(C)c4)c4cc(-c5nc(C)n6c5CN(C(C)=O)CC6)ccc43)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C42H45N15O2/c1-25-46-40(35-23-53(26(2)58)13-15-55(25)35)27-8-10-34-32(18-27)39(30-20-45-51(5)22-30)49-57(34)12-11-37-47-41(36-24-54(42(59)43-3)14-16-56(36)37)28-7-9-33-31(17-28)38(48-52(33)6)29-19-44-50(4)21-29/h7-10,17-22H,11-16,23-24H2,1-6H3,(H,43,59)
InChIKeyWFIPODDPOWXCKS-UHFFFAOYSA-N
XLogP4.52
TPSA159.57 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543536) is 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(CCn3nc(-c4cnn(C)c4)c4cc(-c5nc(C)n6c5CN(C(C)=O)CC6)ccc43)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is WFIPODDPOWXCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N15O2/c1-25-46-40(35-23-53(26(2)58)13-15-55(25)35)27-8-10-34-32(18-27)39(30-20-45-51(5)22-30)49-57(34)12-11-37-47-41(36-24-54(42(59)43-3)14-16-56(36)37)28-7-9-33-31(17-28)38(48-52(33)6)29-19-44-50(4)21-29/h7-10,17-22H,11-16,23-24H2,1-6H3,(H,43,59).
What are the key properties of 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 791.93 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(7-acetyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethyl]-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).