5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid

C21H26N4O6 — CID 134278891

IUPAC5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid
SMILESCOc1ccc(C(=O)N2CCC(=O)c3c2cnn3CCCCCNC(=O)O)cc1OC
InChIInChI=1S/C21H26N4O6/c1-30-17-7-6-14(12-18(17)31-2)20(27)24-11-8-16(26)19-15(24)13-23-25(19)10-5-3-4-9-22-21(28)29/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,28,29)
InChIKeySNLQXJPLTGQVOH-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.57
Rot. Bonds9

About 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid

5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid (PubChem CID 134278891) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid.

Molecular Properties

Compound Name5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid
PubChem CID134278891
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid
SMILESCOc1ccc(C(=O)N2CCC(=O)c3c2cnn3CCCCCNC(=O)O)cc1OC
InChIInChI=1S/C21H26N4O6/c1-30-17-7-6-14(12-18(17)31-2)20(27)24-11-8-16(26)19-15(24)13-23-25(19)10-5-3-4-9-22-21(28)29/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,28,29)
InChIKeySNLQXJPLTGQVOH-UHFFFAOYSA-N
XLogP2.57
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[4-(3,4-dimethoxybenzoyl)-7-[[2-(trifluoromethoxy)benzoyl]amino]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-1-yl]pentyl]carbamate
CID 134607405
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
4-bromo-5-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303607
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-fluorobenzamide
CID 134278979
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
CID 134278366
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid?
The IUPAC name of 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid (CID 134278891) is 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid.
What is the SMILES notation for 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid?
The canonical SMILES for 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid is COc1ccc(C(=O)N2CCC(=O)c3c2cnn3CCCCCNC(=O)O)cc1OC.
What is the InChIKey of 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid?
The InChIKey is SNLQXJPLTGQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-30-17-7-6-14(12-18(17)31-2)20(27)24-11-8-16(26)19-15(24)13-23-25(19)10-5-3-4-9-22-21(28)29/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,28,29).
What are the key properties of 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid?
5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid has a molecular weight of 430.46 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethoxybenzoyl)-7-oxo-5,6-dihydropyrazolo[4,5-b]pyridin-1-yl]pentylcarbamic acid is sourced from PubChem (CID 134278891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).