ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C26H24N4O3 — CID 52942336

IUPACethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2
InChIInChI=1S/C26H24N4O3/c1-3-33-26(32)24-20-16-30(14-13-23(20)29(2)28-24)25(31)19-15-22(17-9-5-4-6-10-17)27-21-12-8-7-11-18(19)21/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyLBQLQLVKUSPXBQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.01
Rot. Bonds4

About ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 52942336) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID52942336
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Nameethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2
InChIInChI=1S/C26H24N4O3/c1-3-33-26(32)24-20-16-30(14-13-23(20)29(2)28-24)25(31)19-15-22(17-9-5-4-6-10-17)27-21-12-8-7-11-18(19)21/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyLBQLQLVKUSPXBQ-UHFFFAOYSA-N
XLogP4.01
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 52942336) is ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2.
What is the InChIKey of ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is LBQLQLVKUSPXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-33-26(32)24-20-16-30(14-13-23(20)29(2)28-24)25(31)19-15-22(17-9-5-4-6-10-17)27-21-12-8-7-11-18(19)21/h4-12,15H,3,13-14,16H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(2-phenylquinoline-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 52942336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).