6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one

C32H29N3O4 — CID 2389211

IUPAC6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C32H29N3O4/c1-4-22-15-26-29(16-28(22)38-19-30(36)35-20(2)14-23-10-8-9-13-27(23)35)39-21(3)31(32(26)37)24-17-33-34(18-24)25-11-6-5-7-12-25/h5-13,15-18,20H,4,14,19H2,1-3H3/t20-/m1/s1
InChIKeyMCZCNGZRDSJBGR-HXUWFJFHSA-N
MW519.60 g/mol
LogP5.87
Rot. Bonds6

About 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one

6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 2389211) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID2389211
Molecular FormulaC32H29N3O4
Molecular Weight519.60 g/mol
Exact Mass519.22
IUPAC Name6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C32H29N3O4/c1-4-22-15-26-29(16-28(22)38-19-30(36)35-20(2)14-23-10-8-9-13-27(23)35)39-21(3)31(32(26)37)24-17-33-34(18-24)25-11-6-5-7-12-25/h5-13,15-18,20H,4,14,19H2,1-3H3/t20-/m1/s1
InChIKeyMCZCNGZRDSJBGR-HXUWFJFHSA-N
XLogP5.87
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 112830092
6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
CID 7953989
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
2-[6-ethyl-3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetic acid
CID 1322096
7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 786636
[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate
CID 980254
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 2389211) is 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one is CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is MCZCNGZRDSJBGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H29N3O4/c1-4-22-15-26-29(16-28(22)38-19-30(36)35-20(2)14-23-10-8-9-13-27(23)35)39-21(3)31(32(26)37)24-17-33-34(18-24)25-11-6-5-7-12-25/h5-13,15-18,20H,4,14,19H2,1-3H3/t20-/m1/s1.
What are the key properties of 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one?
6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 519.60 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 2389211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).