1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

C28H32N4O3 — CID 146439387

IUPAC1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C)cc2)n1
InChIInChI=1S/C28H32N4O3/c1-18(2)32-26-22(17-29-32)15-28(16-24(26)33)9-11-31(12-10-28)27(34)21-13-23(30-25(14-21)35-4)20-7-5-19(3)6-8-20/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3
InChIKeyDTMPLLRJYVTIBF-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.89
Rot. Bonds4

About 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 146439387) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID146439387
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C)cc2)n1
InChIInChI=1S/C28H32N4O3/c1-18(2)32-26-22(17-29-32)15-28(16-24(26)33)9-11-31(12-10-28)27(34)21-13-23(30-25(14-21)35-4)20-7-5-19(3)6-8-20/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3
InChIKeyDTMPLLRJYVTIBF-UHFFFAOYSA-N
XLogP4.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 146439387) is 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C)cc2)n1.
What is the InChIKey of 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is DTMPLLRJYVTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-18(2)32-26-22(17-29-32)15-28(16-24(26)33)9-11-31(12-10-28)27(34)21-13-23(30-25(14-21)35-4)20-7-5-19(3)6-8-20/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3.
What are the key properties of 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 472.59 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-methoxy-6-(4-methylphenyl)pyridine-4-carbonyl]-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 146439387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).