N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C23H25N7O2 — CID 146161498

IUPACN-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(NC(=O)c2cnn3cc(-c4ccn(C)c4)ccc23)c1
InChIInChI=1S/C23H25N7O2/c1-28(2)9-7-25-22(31)18-10-19(12-24-11-18)27-23(32)20-13-26-30-15-16(4-5-21(20)30)17-6-8-29(3)14-17/h4-6,8,10-15H,7,9H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyGHHXSJPIIIDTPI-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.28
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146161498) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID146161498
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(NC(=O)c2cnn3cc(-c4ccn(C)c4)ccc23)c1
InChIInChI=1S/C23H25N7O2/c1-28(2)9-7-25-22(31)18-10-19(12-24-11-18)27-23(32)20-13-26-30-15-16(4-5-21(20)30)17-6-8-29(3)14-17/h4-6,8,10-15H,7,9H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyGHHXSJPIIIDTPI-UHFFFAOYSA-N
XLogP2.28
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Edecesertib
CID 147817927
1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 146161498) is N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(NC(=O)c2cnn3cc(-c4ccn(C)c4)ccc23)c1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GHHXSJPIIIDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-28(2)9-7-25-22(31)18-10-19(12-24-11-18)27-23(32)20-13-26-30-15-16(4-5-21(20)30)17-6-8-29(3)14-17/h4-6,8,10-15H,7,9H2,1-3H3,(H,25,31)(H,27,32).
What are the key properties of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146161498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).