1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one

C36H35N3O4 — CID 44571702

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1N1CCOCC1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2
InChIInChI=1S/C36H35N3O4/c1-25-20-34-29(23-32(25)38-16-18-42-19-17-38)33(40)24-36(43-34)12-14-39(15-13-36)35(41)28-21-30(26-8-4-2-5-9-26)37-31(22-28)27-10-6-3-7-11-27/h2-11,20-23H,12-19,24H2,1H3
InChIKeyZDMCRLXSSSUEHB-UHFFFAOYSA-N
MW573.69 g/mol
LogP6.20
Rot. Bonds4

About 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571702) has the molecular formula C36H35N3O4 and a molecular weight of 573.69 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571702
Molecular FormulaC36H35N3O4
Molecular Weight573.69 g/mol
Exact Mass573.26
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1N1CCOCC1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2
InChIInChI=1S/C36H35N3O4/c1-25-20-34-29(23-32(25)38-16-18-42-19-17-38)33(40)24-36(43-34)12-14-39(15-13-36)35(41)28-21-30(26-8-4-2-5-9-26)37-31(22-28)27-10-6-3-7-11-27/h2-11,20-23H,12-19,24H2,1H3
InChIKeyZDMCRLXSSSUEHB-UHFFFAOYSA-N
XLogP6.20
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.69
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571702) is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1N1CCOCC1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZDMCRLXSSSUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O4/c1-25-20-34-29(23-32(25)38-16-18-42-19-17-38)33(40)24-36(43-34)12-14-39(15-13-36)35(41)28-21-30(26-8-4-2-5-9-26)37-31(22-28)27-10-6-3-7-11-27/h2-11,20-23H,12-19,24H2,1H3.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 573.69 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-methyl-6-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).