5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C23H26N6O3 — CID 110084990

IUPAC5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(C(=O)c3cnc(C)nc3C)Cc3cn(C)nc32)cc1
InChIInChI=1S/C23H26N6O3/c1-14-19(10-24-15(2)26-14)23(31)29-12-17-11-28(3)27-21(17)20(13-29)22(30)25-9-16-5-7-18(32-4)8-6-16/h5-8,10-11,20H,9,12-13H2,1-4H3,(H,25,30)
InChIKeyIDGTZUGGTHVKPC-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.89
Rot. Bonds5

About 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110084990) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110084990
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(C(=O)c3cnc(C)nc3C)Cc3cn(C)nc32)cc1
InChIInChI=1S/C23H26N6O3/c1-14-19(10-24-15(2)26-14)23(31)29-12-17-11-28(3)27-21(17)20(13-29)22(30)25-9-16-5-7-18(32-4)8-6-16/h5-8,10-11,20H,9,12-13H2,1-4H3,(H,25,30)
InChIKeyIDGTZUGGTHVKPC-UHFFFAOYSA-N
XLogP1.89
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-methoxyphenyl)acetyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248145
(7R)-5-[3-(4-methoxyphenyl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92618718
5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248176
N-(2-methoxyphenyl)-2-methyl-5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110084982
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806143
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20959729
[4-(2-fluorophenyl)piperazin-1-yl]-[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]methanone
CID 20959754
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 70740198
N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 95147304
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110084990) is 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is COc1ccc(CNC(=O)C2CN(C(=O)c3cnc(C)nc3C)Cc3cn(C)nc32)cc1.
What is the InChIKey of 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is IDGTZUGGTHVKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-19(10-24-15(2)26-14)23(31)29-12-17-11-28(3)27-21(17)20(13-29)22(30)25-9-16-5-7-18(32-4)8-6-16/h5-8,10-11,20H,9,12-13H2,1-4H3,(H,25,30).
What are the key properties of 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrimidine-5-carbonyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110084990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).