1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide

C29H28N6O3 — CID 10505821

IUPAC1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1
InChIInChI=1S/C29H28N6O3/c1-18-31-23-15-30-14-13-24(23)34(18)16-19-9-11-20(12-10-19)27(36)22-17-35(29(38)33(4)5)25-8-6-7-21(26(22)25)28(37)32(2)3/h6-15,17H,16H2,1-5H3
InChIKeyGTOLUNAZLSXFSR-UHFFFAOYSA-N
MW508.58 g/mol
LogP4.21
Rot. Bonds5

About 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide

1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide (PubChem CID 10505821) has the molecular formula C29H28N6O3 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide
PubChem CID10505821
Molecular FormulaC29H28N6O3
Molecular Weight508.58 g/mol
Exact Mass508.22
IUPAC Name1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1
InChIInChI=1S/C29H28N6O3/c1-18-31-23-15-30-14-13-24(23)34(18)16-19-9-11-20(12-10-19)27(36)22-17-35(29(38)33(4)5)25-8-6-7-21(26(22)25)28(37)32(2)3/h6-15,17H,16H2,1-5H3
InChIKeyGTOLUNAZLSXFSR-UHFFFAOYSA-N
XLogP4.21
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide (CID 10505821) is 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide?
The InChIKey is GTOLUNAZLSXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O3/c1-18-31-23-15-30-14-13-24(23)34(18)16-19-9-11-20(12-10-19)27(36)22-17-35(29(38)33(4)5)25-8-6-7-21(26(22)25)28(37)32(2)3/h6-15,17H,16H2,1-5H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide?
1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide has a molecular weight of 508.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetramethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1,4-dicarboxamide is sourced from PubChem (CID 10505821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).