5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

C23H28N4O3 — CID 18570545

IUPAC5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCOCCCn1cc(C(=O)N2CCCC(C)C2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H28N4O3/c1-17-8-6-12-26(14-17)22(28)19-15-25(11-7-13-30-2)16-20-21(19)24-27(23(20)29)18-9-4-3-5-10-18/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3
InChIKeyGUAAEDGQLDDFHR-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.05
Rot. Bonds6

About 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 18570545) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
PubChem CID18570545
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCOCCCn1cc(C(=O)N2CCCC(C)C2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H28N4O3/c1-17-8-6-12-26(14-17)22(28)19-15-25(11-7-13-30-2)16-20-21(19)24-27(23(20)29)18-9-4-3-5-10-18/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3
InChIKeyGUAAEDGQLDDFHR-UHFFFAOYSA-N
XLogP3.05
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570553
methyl 5-[3-(dimethylamino)propyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495612
ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
CID 18570228
3-(3-methoxypropyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7116539
methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495579
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one
CID 92530654
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one
CID 92530657
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (CID 18570545) is 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is COCCCn1cc(C(=O)N2CCCC(C)C2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is GUAAEDGQLDDFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-8-6-12-26(14-17)22(28)19-15-25(11-7-13-30-2)16-20-21(19)24-27(23(20)29)18-9-4-3-5-10-18/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3.
What are the key properties of 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 408.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18570545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).