[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

C21H20N2O3 — CID 127026625

IUPAC[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-16-7-14(8-17(10-16)26-2)12-23-20-6-4-3-5-18(20)19-9-15(13-24)11-22-21(19)23/h3-11,24H,12-13H2,1-2H3
InChIKeyDIYBTVCUASZXRH-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.75
Rot. Bonds5

About [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127026625) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127026625
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-16-7-14(8-17(10-16)26-2)12-23-20-6-4-3-5-18(20)19-9-15(13-24)11-22-21(19)23/h3-11,24H,12-13H2,1-2H3
InChIKeyDIYBTVCUASZXRH-UHFFFAOYSA-N
XLogP3.75
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cgp-77675
CID 5311381
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
2-(3,5-Dimethoxyphenyl)-1,8-naphthyridine
CID 44434719
1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168278046
5-(3-Methoxyphenyl)-7-phenyl-4-aminopyrrolo[2,3-d]pyrimidine
CID 15858662
2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzylamino)ethanol
CID 44384964
(3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)methanol
CID 44385116
(2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)methanol
CID 44411305
3-[3-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709559
1-(3,5-dimethoxyphenyl)-N-methylimidazo[1,2-a]quinoxalin-4-amine
CID 121457332
3-(3-Propan-2-yloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179288

Frequently Asked Questions

What is the IUPAC name of [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (CID 127026625) is [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is COc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1.
What is the InChIKey of [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is DIYBTVCUASZXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-16-7-14(8-17(10-16)26-2)12-23-20-6-4-3-5-18(20)19-9-15(13-24)11-22-21(19)23/h3-11,24H,12-13H2,1-2H3.
What are the key properties of [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
[9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 348.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127026625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).