1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C27H24N4O3 — CID 108810861

IUPAC1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C27H24N4O3/c1-18-21(17-28-31(18)25-11-10-19-6-2-4-8-22(19)29-25)26(33)30-14-12-27(13-15-30)16-23(32)20-7-3-5-9-24(20)34-27/h2-11,17H,12-16H2,1H3
InChIKeySTDHCIFGWDYTTP-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.37
Rot. Bonds2

About 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108810861) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108810861
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C27H24N4O3/c1-18-21(17-28-31(18)25-11-10-19-6-2-4-8-22(19)29-25)26(33)30-14-12-27(13-15-30)16-23(32)20-7-3-5-9-24(20)34-27/h2-11,17H,12-16H2,1H3
InChIKeySTDHCIFGWDYTTP-UHFFFAOYSA-N
XLogP4.37
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(1,5-dimethylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694189
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739905
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810847
7,8-dimethoxy-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740049
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810872
1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164698644

Frequently Asked Questions

What is the IUPAC name of 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108810861) is 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is STDHCIFGWDYTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-18-21(17-28-31(18)25-11-10-19-6-2-4-8-22(19)29-25)26(33)30-14-12-27(13-15-30)16-23(32)20-7-3-5-9-24(20)34-27/h2-11,17H,12-16H2,1H3.
What are the key properties of 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 452.51 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108810861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).