3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide

C28H23N3O3 — CID 16606726

IUPAC3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCc3cnn(-c4ccccc4)c3)cccc2c1=O
InChIInChI=1S/C28H23N3O3/c1-19-25(32)23-13-8-14-24(27(23)34-26(19)21-9-4-2-5-10-21)28(33)29-16-15-20-17-30-31(18-20)22-11-6-3-7-12-22/h2-14,17-18H,15-16H2,1H3,(H,29,33)
InChIKeyGAABILBDDBCCFN-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.93
Rot. Bonds6

About 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide

3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide (PubChem CID 16606726) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
PubChem CID16606726
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCc3cnn(-c4ccccc4)c3)cccc2c1=O
InChIInChI=1S/C28H23N3O3/c1-19-25(32)23-13-8-14-24(27(23)34-26(19)21-9-4-2-5-10-21)28(33)29-16-15-20-17-30-31(18-20)22-11-6-3-7-12-22/h2-14,17-18H,15-16H2,1H3,(H,29,33)
InChIKeyGAABILBDDBCCFN-UHFFFAOYSA-N
XLogP4.93
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46823937
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 16613868
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide (CID 16606726) is 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCCc3cnn(-c4ccccc4)c3)cccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide?
The InChIKey is GAABILBDDBCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-19-25(32)23-13-8-14-24(27(23)34-26(19)21-9-4-2-5-10-21)28(33)29-16-15-20-17-30-31(18-20)22-11-6-3-7-12-22/h2-14,17-18H,15-16H2,1H3,(H,29,33).
What are the key properties of 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide?
3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide is sourced from PubChem (CID 16606726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).