N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H22N6O4 — CID 166619238

IUPACN-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N2CCc3c(C(=O)NCCO)n[nH]c3C2)cn1
InChIInChI=1S/C20H22N6O4/c1-30-17-5-3-2-4-16(17)26-11-13(10-22-26)20(29)25-8-6-14-15(12-25)23-24-18(14)19(28)21-7-9-27/h2-5,10-11,27H,6-9,12H2,1H3,(H,21,28)(H,23,24)
InChIKeyWZAVXYYSDMEHSS-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166619238) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166619238
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC NameN-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N2CCc3c(C(=O)NCCO)n[nH]c3C2)cn1
InChIInChI=1S/C20H22N6O4/c1-30-17-5-3-2-4-16(17)26-11-13(10-22-26)20(29)25-8-6-14-15(12-25)23-24-18(14)19(28)21-7-9-27/h2-5,10-11,27H,6-9,12H2,1H3,(H,21,28)(H,23,24)
InChIKeyWZAVXYYSDMEHSS-UHFFFAOYSA-N
XLogP0.52
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
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
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904
3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide
CID 171706350
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166619238) is N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccccc1-n1cc(C(=O)N2CCc3c(C(=O)NCCO)n[nH]c3C2)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WZAVXYYSDMEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-30-17-5-3-2-4-16(17)26-11-13(10-22-26)20(29)25-8-6-14-15(12-25)23-24-18(14)19(28)21-7-9-27/h2-5,10-11,27H,6-9,12H2,1H3,(H,21,28)(H,23,24).
What are the key properties of N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166619238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).