1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H23N5O4 — CID 56718617

IUPAC1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cc(C)[nH]n2)C3)cc1
InChIInChI=1S/C21H23N5O4/c1-13-11-17(23-22-13)20(27)25-9-8-18-16(12-25)19(21(28)29)24-26(18)10-7-14-3-5-15(30-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,22,23)(H,28,29)
InChIKeyWAFBOWWRAUEYBA-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.06
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56718617) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56718617
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cc(C)[nH]n2)C3)cc1
InChIInChI=1S/C21H23N5O4/c1-13-11-17(23-22-13)20(27)25-9-8-18-16(12-25)19(21(28)29)24-26(18)10-7-14-3-5-15(30-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,22,23)(H,28,29)
InChIKeyWAFBOWWRAUEYBA-UHFFFAOYSA-N
XLogP2.06
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56715066
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-imidazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718705
5-(cyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56713769
1-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56706470
5-[(1R)-2,2-difluorocyclopropanecarbonyl]-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190026
5-(2,2-difluorocyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702063
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26226073
ethyl 1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26230545
N-cyclopropyl-5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231470
5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26136322
N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228065
5-[2-(dimethylamino)propanoyl]-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56707831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56718617) is 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cc(C)[nH]n2)C3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is WAFBOWWRAUEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13-11-17(23-22-13)20(27)25-9-8-18-16(12-25)19(21(28)29)24-26(18)10-7-14-3-5-15(30-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,22,23)(H,28,29).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 409.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).