methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C19H18N4O6 — CID 121239063

IUPACmethyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CCn2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)c1
InChIInChI=1S/C19H18N4O6/c1-28-18(26)11-4-3-5-12(8-11)20-15(24)6-7-23-9-13-16(21-22-17(13)25)14(10-23)19(27)29-2/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyKYUPZLYNPQYMOV-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.28
Rot. Bonds6

About methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121239063) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121239063
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Namemethyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CCn2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)c1
InChIInChI=1S/C19H18N4O6/c1-28-18(26)11-4-3-5-12(8-11)20-15(24)6-7-23-9-13-16(21-22-17(13)25)14(10-23)19(27)29-2/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyKYUPZLYNPQYMOV-UHFFFAOYSA-N
XLogP1.28
TPSA132.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240626
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
methyl 5-[2-(benzenesulfonyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240786
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878415
methyl 3-[3-(4-formylpiperazin-1-yl)propanoylamino]benzoate
CID 109018056
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
methyl 5-[(3R)-3-(furan-2-yl)-4-phenylbutyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124880049
methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109027365

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121239063) is methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cccc(NC(=O)CCn2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)c1.
What is the InChIKey of methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is KYUPZLYNPQYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-28-18(26)11-4-3-5-12(8-11)20-15(24)6-7-23-9-13-16(21-22-17(13)25)14(10-23)19(27)29-2/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 398.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121239063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).