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

C35H33N3O3 — CID 44571707

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCC3)ccc21
InChIInChI=1S/C35H33N3O3/c39-32-24-35(41-33-23-28(13-14-29(32)33)37-17-7-8-18-37)15-19-38(20-16-35)34(40)27-21-30(25-9-3-1-4-10-25)36-31(22-27)26-11-5-2-6-12-26/h1-6,9-14,21-23H,7-8,15-20,24H2
InChIKeyLISBYYDTVGWUGD-UHFFFAOYSA-N
MW543.67 g/mol
LogP6.66
Rot. Bonds4

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

1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571707) has the molecular formula C35H33N3O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571707
Molecular FormulaC35H33N3O3
Molecular Weight543.67 g/mol
Exact Mass543.25
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCC3)ccc21
InChIInChI=1S/C35H33N3O3/c39-32-24-35(41-33-23-28(13-14-29(32)33)37-17-7-8-18-37)15-19-38(20-16-35)34(40)27-21-30(25-9-3-1-4-10-25)36-31(22-27)26-11-5-2-6-12-26/h1-6,9-14,21-23H,7-8,15-20,24H2
InChIKeyLISBYYDTVGWUGD-UHFFFAOYSA-N
XLogP6.66
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571707) is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCC3)ccc21.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LISBYYDTVGWUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O3/c39-32-24-35(41-33-23-28(13-14-29(32)33)37-17-7-8-18-37)15-19-38(20-16-35)34(40)27-21-30(25-9-3-1-4-10-25)36-31(22-27)26-11-5-2-6-12-26/h1-6,9-14,21-23H,7-8,15-20,24H2.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 543.67 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-pyrrolidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).