1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone

C15H18N4O2 — CID 95828317

IUPAC1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C15H18N4O2/c1-21-10-14(20)19-8-7-13-12(9-19)15(18-17-13)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18)
InChIKeyWGEUKMUATAUQIJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds4

About 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone

1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone (PubChem CID 95828317) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
PubChem CID95828317
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C15H18N4O2/c1-21-10-14(20)19-8-7-13-12(9-19)15(18-17-13)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18)
InChIKeyWGEUKMUATAUQIJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone with MolForge

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Related Compounds

(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
CID 95828470
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698
tert-butyl 3-(3-methoxycarbonylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121365292
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
5-(2-methoxyacetyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076223
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
CID 121442732
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 150030756

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone (CID 95828317) is 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone is COCC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1.
What is the InChIKey of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone?
The InChIKey is WGEUKMUATAUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-10-14(20)19-8-7-13-12(9-19)15(18-17-13)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone?
1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone has a molecular weight of 286.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone is sourced from PubChem (CID 95828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).