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

C35H33N3O4 — CID 44571704

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C35H33N3O4/c39-32-24-35(42-33-23-28(11-12-29(32)33)37-17-19-41-20-18-37)13-15-38(16-14-35)34(40)27-21-30(25-7-3-1-4-8-25)36-31(22-27)26-9-5-2-6-10-26/h1-12,21-23H,13-20,24H2
InChIKeyLKEQQVFJWANGFS-UHFFFAOYSA-N
MW559.67 g/mol
LogP5.89
Rot. Bonds4

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

1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571704) has the molecular formula C35H33N3O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571704
Molecular FormulaC35H33N3O4
Molecular Weight559.67 g/mol
Exact Mass559.25
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C35H33N3O4/c39-32-24-35(42-33-23-28(11-12-29(32)33)37-17-19-41-20-18-37)13-15-38(16-14-35)34(40)27-21-30(25-7-3-1-4-8-25)36-31(22-27)26-9-5-2-6-10-26/h1-12,21-23H,13-20,24H2
InChIKeyLKEQQVFJWANGFS-UHFFFAOYSA-N
XLogP5.89
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571704) is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LKEQQVFJWANGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O4/c39-32-24-35(42-33-23-28(11-12-29(32)33)37-17-19-41-20-18-37)13-15-38(16-14-35)34(40)27-21-30(25-7-3-1-4-8-25)36-31(22-27)26-9-5-2-6-10-26/h1-12,21-23H,13-20,24H2.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)-7-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 559.67 g/mol, XLogP of 5.89, 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-morpholin-4-ylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).