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

C23H24N8O — CID 162654034

IUPAC3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(-c1nc3nccc(-n4cc(CN(C)C)cn4)c3[nH]1)cn2C
InChIInChI=1S/C23H24N8O/c1-24-23(32)15-5-6-18-16(9-15)17(13-30(18)4)21-27-20-19(7-8-25-22(20)28-21)31-12-14(10-26-31)11-29(2)3/h5-10,12-13H,11H2,1-4H3,(H,24,32)(H,25,27,28)
InChIKeyLTVGCRDGTQYHRM-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.72
Rot. Bonds5

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

3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide (PubChem CID 162654034) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
PubChem CID162654034
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(-c1nc3nccc(-n4cc(CN(C)C)cn4)c3[nH]1)cn2C
InChIInChI=1S/C23H24N8O/c1-24-23(32)15-5-6-18-16(9-15)17(13-30(18)4)21-27-20-19(7-8-25-22(20)28-21)31-12-14(10-26-31)11-29(2)3/h5-10,12-13H,11H2,1-4H3,(H,24,32)(H,25,27,28)
InChIKeyLTVGCRDGTQYHRM-UHFFFAOYSA-N
XLogP2.72
TPSA96.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
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,1-dimethylindole-5-carboxamide?
The IUPAC name of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide (CID 162654034) is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-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,1-dimethylindole-5-carboxamide?
The canonical SMILES for 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide is CNC(=O)c1ccc2c(c1)c(-c1nc3nccc(-n4cc(CN(C)C)cn4)c3[nH]1)cn2C.
What is the InChIKey of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide?
The InChIKey is LTVGCRDGTQYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-24-23(32)15-5-6-18-16(9-15)17(13-30(18)4)21-27-20-19(7-8-25-22(20)28-21)31-12-14(10-26-31)11-29(2)3/h5-10,12-13H,11H2,1-4H3,(H,24,32)(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,1-dimethylindole-5-carboxamide?
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 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,1-dimethylindole-5-carboxamide is sourced from PubChem (CID 162654034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).