1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide

C22H23N7O — CID 97442143

IUPAC1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3nnc4nc(C)n(C5CCCC5)c4c3c2)cn1
InChIInChI=1S/C22H23N7O/c1-13-10-24-16(11-23-13)12-25-22(30)15-7-8-19-18(9-15)20-21(28-27-19)26-14(2)29(20)17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3,(H,25,30)
InChIKeyZGUFBRRMOXOHOL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.43
Rot. Bonds4

About 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide

1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide (PubChem CID 97442143) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide
PubChem CID97442143
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3nnc4nc(C)n(C5CCCC5)c4c3c2)cn1
InChIInChI=1S/C22H23N7O/c1-13-10-24-16(11-23-13)12-25-22(30)15-7-8-19-18(9-15)20-21(28-27-19)26-14(2)29(20)17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3,(H,25,30)
InChIKeyZGUFBRRMOXOHOL-UHFFFAOYSA-N
XLogP3.43
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide?
The IUPAC name of 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide (CID 97442143) is 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide is Cc1cnc(CNC(=O)c2ccc3nnc4nc(C)n(C5CCCC5)c4c3c2)cn1.
What is the InChIKey of 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide?
The InChIKey is ZGUFBRRMOXOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13-10-24-16(11-23-13)12-25-22(30)15-7-8-19-18(9-15)20-21(28-27-19)26-14(2)29(20)17-5-3-4-6-17/h7-11,17H,3-6,12H2,1-2H3,(H,25,30).
What are the key properties of 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide?
1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]cinnoline-8-carboxamide is sourced from PubChem (CID 97442143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).