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

C51H53N15O4 — CID 139556018

IUPAC1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5ccc(C(=O)NCCn6nc(-c7cnn(C)c7)c7cc(-c8nc(N9CCOCC9)n9c8CN(C(C)=O)CC9)ccc76)nc5)ncc34)c2C1
InChIInChI=1S/C51H53N15O4/c1-31(67)62-15-18-65-43(29-62)46(58-50(65)61-19-21-70-22-20-61)34-10-12-42-38(23-34)45(36-26-56-60(3)28-36)59-66(42)14-13-53-49(68)40-11-9-35(25-54-40)41-24-33-5-4-6-37(39(33)27-55-41)47-44-30-63(51(69)52-2)16-17-64(44)48(57-47)32-7-8-32/h4-6,9-12,23-28,32H,7-8,13-22,29-30H2,1-3H3,(H,52,69)(H,53,68)
InChIKeyCLCCHSHVPMHSDK-UHFFFAOYSA-N
MW940.09 g/mol
LogP5.44
Rot. Bonds10

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

1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139556018) has the molecular formula C51H53N15O4 and a molecular weight of 940.09 g/mol. Its IUPAC name is 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139556018
Molecular FormulaC51H53N15O4
Molecular Weight940.09 g/mol
Exact Mass939.44
IUPAC Name1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5ccc(C(=O)NCCn6nc(-c7cnn(C)c7)c7cc(-c8nc(N9CCOCC9)n9c8CN(C(C)=O)CC9)ccc76)nc5)ncc34)c2C1
InChIInChI=1S/C51H53N15O4/c1-31(67)62-15-18-65-43(29-62)46(58-50(65)61-19-21-70-22-20-61)34-10-12-42-38(23-34)45(36-26-56-60(3)28-36)59-66(42)14-13-53-49(68)40-11-9-35(25-54-40)41-24-33-5-4-6-37(39(33)27-55-41)47-44-30-63(51(69)52-2)16-17-64(44)48(57-47)32-7-8-32/h4-6,9-12,23-28,32H,7-8,13-22,29-30H2,1-3H3,(H,52,69)(H,53,68)
InChIKeyCLCCHSHVPMHSDK-UHFFFAOYSA-N
XLogP5.44
TPSA191.28 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.09
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-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 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139556018) is 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5ccc(C(=O)NCCn6nc(-c7cnn(C)c7)c7cc(-c8nc(N9CCOCC9)n9c8CN(C(C)=O)CC9)ccc76)nc5)ncc34)c2C1.
What is the InChIKey of 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is CLCCHSHVPMHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N15O4/c1-31(67)62-15-18-65-43(29-62)46(58-50(65)61-19-21-70-22-20-61)34-10-12-42-38(23-34)45(36-26-56-60(3)28-36)59-66(42)14-13-53-49(68)40-11-9-35(25-54-40)41-24-33-5-4-6-37(39(33)27-55-41)47-44-30-63(51(69)52-2)16-17-64(44)48(57-47)32-7-8-32/h4-6,9-12,23-28,32H,7-8,13-22,29-30H2,1-3H3,(H,52,69)(H,53,68).
What are the key properties of 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 940.09 g/mol, XLogP of 5.44, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139556018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).