N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

C28H33N7O2 — CID 146877976

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C28H33N7O2/c1-19-21(12-22(14-30-19)27(37)29-9-11-34-10-5-8-28(34,2)3)13-26(36)24-16-32-35-18-20(6-7-25(24)35)23-15-31-33(4)17-23/h6-7,12,14-18H,5,8-11,13H2,1-4H3,(H,29,37)
InChIKeySQZLQZLBGCLOHW-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.47
Rot. Bonds8

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 146877976) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID146877976
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C28H33N7O2/c1-19-21(12-22(14-30-19)27(37)29-9-11-34-10-5-8-28(34,2)3)13-26(36)24-16-32-35-18-20(6-7-25(24)35)23-15-31-33(4)17-23/h6-7,12,14-18H,5,8-11,13H2,1-4H3,(H,29,37)
InChIKeySQZLQZLBGCLOHW-UHFFFAOYSA-N
XLogP3.47
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Edecesertib
CID 147817927
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
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
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
Dihydropyrrolopyrazole, 9
CID 10203646

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 146877976) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is SQZLQZLBGCLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-19-21(12-22(14-30-19)27(37)29-9-11-34-10-5-8-28(34,2)3)13-26(36)24-16-32-35-18-20(6-7-25(24)35)23-15-31-33(4)17-23/h6-7,12,14-18H,5,8-11,13H2,1-4H3,(H,29,37).
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 146877976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).