methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

C16H17N3O4 — CID 84580825

IUPACmethyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C16H17N3O4/c1-22-13-6-4-3-5-11(13)15(20)19-8-7-10-12(9-19)17-18-14(10)16(21)23-2/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyPXLCXURHYXQBQT-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.40
Rot. Bonds3

About methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84580825) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84580825
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C16H17N3O4/c1-22-13-6-4-3-5-11(13)15(20)19-8-7-10-12(9-19)17-18-14(10)16(21)23-2/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyPXLCXURHYXQBQT-UHFFFAOYSA-N
XLogP1.40
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3-methylbenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579818
6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166612865
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619238
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
1H-indazol-3-yl-[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46996698
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108751163
(5-fluoro-2-methoxyphenyl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042269
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2-methoxyphenyl)methanone
CID 110712610

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 84580825) is methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CCN(C(=O)c1ccccc1OC)C2.
What is the InChIKey of methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is PXLCXURHYXQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-13-6-4-3-5-11(13)15(20)19-8-7-10-12(9-19)17-18-14(10)16(21)23-2/h3-6H,7-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84580825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).