[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol

C25H26N2O3 — CID 118967156

IUPAC[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc(OC(C)C)ccc23)cn1
InChIInChI=1S/C25H26N2O3/c1-17(2)30-20-10-11-21-22(13-20)27(15-18-7-5-4-6-8-18)23(16-28)25(21)19-9-12-24(29-3)26-14-19/h4-14,17,28H,15-16H2,1-3H3
InChIKeyJYWYKXFHRLEPQG-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.04
Rot. Bonds7

About [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol

[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol (PubChem CID 118967156) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol
PubChem CID118967156
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc(OC(C)C)ccc23)cn1
InChIInChI=1S/C25H26N2O3/c1-17(2)30-20-10-11-21-22(13-20)27(15-18-7-5-4-6-8-18)23(16-28)25(21)19-9-12-24(29-3)26-14-19/h4-14,17,28H,15-16H2,1-3H3
InChIKeyJYWYKXFHRLEPQG-UHFFFAOYSA-N
XLogP5.04
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-chlorophenyl)methyl]-3-(2-methylsulfanylpyrimidin-5-yl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967144
[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol
CID 118967126
[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
1-[(4-cyano-2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile
CID 118967146
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
CID 118967097
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
CID 134907072
[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
CID 142136286
3-[5-[1-(1,3-benzothiazol-2-yl)ethoxy]-3-(cyclobutylmethyl)-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
CID 69477508
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
3-[3-tert-butylsulfanyl-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]indol-2-yl]-2-methylpropanoic acid
CID 142792737

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol?
The IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol (CID 118967156) is [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc(OC(C)C)ccc23)cn1.
What is the InChIKey of [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol?
The InChIKey is JYWYKXFHRLEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)30-20-10-11-21-22(13-20)27(15-18-7-5-4-6-8-18)23(16-28)25(21)19-9-12-24(29-3)26-14-19/h4-14,17,28H,15-16H2,1-3H3.
What are the key properties of [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol?
[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol has a molecular weight of 402.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol is sourced from PubChem (CID 118967156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).