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

C22H23N9O — CID 162653191

IUPAC3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCNC(=O)c1cc2c(-c3nc4nccc(-n5cc(CN(C)C)cn5)c4[nH]3)cn(C)c2cn1
InChIInChI=1S/C22H23N9O/c1-23-22(32)16-7-14-15(12-30(4)18(14)9-25-16)20-27-19-17(5-6-24-21(19)28-20)31-11-13(8-26-31)10-29(2)3/h5-9,11-12H,10H2,1-4H3,(H,23,32)(H,24,27,28)
InChIKeyFGOLYKAXIFQPDE-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.12
Rot. Bonds5

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

3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 162653191) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID162653191
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCNC(=O)c1cc2c(-c3nc4nccc(-n5cc(CN(C)C)cn5)c4[nH]3)cn(C)c2cn1
InChIInChI=1S/C22H23N9O/c1-23-22(32)16-7-14-15(12-30(4)18(14)9-25-16)20-27-19-17(5-6-24-21(19)28-20)31-11-13(8-26-31)10-29(2)3/h5-9,11-12H,10H2,1-4H3,(H,23,32)(H,24,27,28)
InChIKeyFGOLYKAXIFQPDE-UHFFFAOYSA-N
XLogP2.12
TPSA109.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide with MolForge

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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-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 162653191) is 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-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-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide is CNC(=O)c1cc2c(-c3nc4nccc(-n5cc(CN(C)C)cn5)c4[nH]3)cn(C)c2cn1.
What is the InChIKey of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is FGOLYKAXIFQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-23-22(32)16-7-14-15(12-30(4)18(14)9-25-16)20-27-19-17(5-6-24-21(19)28-20)31-11-13(8-26-31)10-29(2)3/h5-9,11-12H,10H2,1-4H3,(H,23,32)(H,24,27,28).
What are the key properties of 3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162653191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).