5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C22H23N5O3 — CID 53066984

IUPAC5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1
InChIInChI=1S/C22H23N5O3/c1-26-18-12-13-27(22(29)24-17-10-6-7-11-19(17)30-2)14-16(18)20(25-26)21(28)23-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyYXGCLUCWKWUEFU-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.27
Rot. Bonds4

About 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 53066984) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID53066984
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1
InChIInChI=1S/C22H23N5O3/c1-26-18-12-13-27(22(29)24-17-10-6-7-11-19(17)30-2)14-16(18)20(25-26)21(28)23-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyYXGCLUCWKWUEFU-UHFFFAOYSA-N
XLogP3.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066866
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 83275646
N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066814
3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 53066792
N-benzyl-1-methyl-5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53027400
1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389101
1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018139
N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 50831030
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018091
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018978

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 53066984) is 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide is COc1ccccc1NC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1.
What is the InChIKey of 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is YXGCLUCWKWUEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26-18-12-13-27(22(29)24-17-10-6-7-11-19(17)30-2)14-16(18)20(25-26)21(28)23-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 53066984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).