(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C30H34N2O6 — CID 158446167

IUPAC(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c(C)[nH]c4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/C30H34N2O6/c1-18-7-6-8-21-27(19(2)31-28(18)21)29-24(36-4)11-12-26(32-29)30(3,35)14-13-22(34)20-9-10-23(38-16-15-33)25(17-20)37-5/h6-12,17,31,33,35H,13-16H2,1-5H3/t30-/m1/s1
InChIKeyNTODOPXFDRVRSD-SSEXGKCCSA-N
MW518.61 g/mol
LogP5.11
Rot. Bonds11

About (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 158446167) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID158446167
Molecular FormulaC30H34N2O6
Molecular Weight518.61 g/mol
Exact Mass518.24
IUPAC Name(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c(C)[nH]c4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/C30H34N2O6/c1-18-7-6-8-21-27(19(2)31-28(18)21)29-24(36-4)11-12-26(32-29)30(3,35)14-13-22(34)20-9-10-23(38-16-15-33)25(17-20)37-5/h6-12,17,31,33,35H,13-16H2,1-5H3/t30-/m1/s1
InChIKeyNTODOPXFDRVRSD-SSEXGKCCSA-N
XLogP5.11
TPSA113.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;(4S)-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;(4R)-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one
CID 167595758
1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one
CID 158874415
4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-methyl-7-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]pentan-1-one
CID 159189248
4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one
CID 158718149
4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158184316
4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one
CID 167555451
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 160789718
4-[4-(4-fluoro-3-methylphenyl)-5-methoxypyrimidin-2-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 162241747
(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158950146
4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 152876435
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(4-methylsulfonylphenyl)-2-pyridinyl]butane-1,4-dione
CID 158408010
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 157438514

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 158446167) is (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c(C)[nH]c4c(C)cccc34)n2)ccc1OCCO.
What is the InChIKey of (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is NTODOPXFDRVRSD-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H34N2O6/c1-18-7-6-8-21-27(19(2)31-28(18)21)29-24(36-4)11-12-26(32-29)30(3,35)14-13-22(34)20-9-10-23(38-16-15-33)25(17-20)37-5/h6-12,17,31,33,35H,13-16H2,1-5H3/t30-/m1/s1.
What are the key properties of (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 518.61 g/mol, XLogP of 5.11, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 158446167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).