3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide

C24H26N8O — CID 162649121

IUPAC3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(C(=O)N(C)C)cc45)[nH]c23)c1
InChIInChI=1S/C24H26N8O/c1-29(2)12-15-11-26-32(13-15)20-8-9-25-23-21(20)27-22(28-23)18-14-31(5)19-7-6-16(10-17(18)19)24(33)30(3)4/h6-11,13-14H,12H2,1-5H3,(H,25,27,28)
InChIKeyCXIPKAUVEYGJGF-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.07
Rot. Bonds5

About 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide

3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide (PubChem CID 162649121) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide.

Molecular Properties

Compound Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide
PubChem CID162649121
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(C(=O)N(C)C)cc45)[nH]c23)c1
InChIInChI=1S/C24H26N8O/c1-29(2)12-15-11-26-32(13-15)20-8-9-25-23-21(20)27-22(28-23)18-14-31(5)19-7-6-16(10-17(18)19)24(33)30(3)4/h6-11,13-14H,12H2,1-5H3,(H,25,27,28)
InChIKeyCXIPKAUVEYGJGF-UHFFFAOYSA-N
XLogP3.07
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide?
The IUPAC name of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide (CID 162649121) is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide.
What is the SMILES notation for 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide?
The canonical SMILES for 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide is CN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(C(=O)N(C)C)cc45)[nH]c23)c1.
What is the InChIKey of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide?
The InChIKey is CXIPKAUVEYGJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-29(2)12-15-11-26-32(13-15)20-8-9-25-23-21(20)27-22(28-23)18-14-31(5)19-7-6-16(10-17(18)19)24(33)30(3)4/h6-11,13-14H,12H2,1-5H3,(H,25,27,28).
What are the key properties of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide?
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide is sourced from PubChem (CID 162649121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).