1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol

C26H29N3O4 — CID 67665808

IUPAC1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol
SMILESCCNC(c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12)C(O)COc1ccncc1
InChIInChI=1S/C26H29N3O4/c1-4-28-26(21(30)16-33-18-11-13-27-14-12-18)24-19-7-5-6-8-20(19)29-25(24)17-9-10-22(31-2)23(15-17)32-3/h5-15,21,26,28-30H,4,16H2,1-3H3
InChIKeyWONXDRUNTYGBBL-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.34
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol

1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol (PubChem CID 67665808) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol
PubChem CID67665808
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol
SMILESCCNC(c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12)C(O)COc1ccncc1
InChIInChI=1S/C26H29N3O4/c1-4-28-26(21(30)16-33-18-11-13-27-14-12-18)24-19-7-5-6-8-20(19)29-25(24)17-9-10-22(31-2)23(15-17)32-3/h5-15,21,26,28-30H,4,16H2,1-3H3
InChIKeyWONXDRUNTYGBBL-UHFFFAOYSA-N
XLogP4.34
TPSA88.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol with MolForge

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Related Compounds

4-[3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]-3-(ethylamino)-2-hydroxypropoxy]phenol
CID 67663466
2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
CID 143177705
2-[4-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]methyl]phenoxy]-N-ethylethanamine
CID 160702689
(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol
CID 7150227
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-phenylacetamide
CID 151821417
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 150155217
1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine
CID 175946590
3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 3478948
(2-methoxy-9H-carbazol-3-yl)methanol
CID 134816366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol (CID 67665808) is 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol is CCNC(c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12)C(O)COc1ccncc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol?
The InChIKey is WONXDRUNTYGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-4-28-26(21(30)16-33-18-11-13-27-14-12-18)24-19-7-5-6-8-20(19)29-25(24)17-9-10-22(31-2)23(15-17)32-3/h5-15,21,26,28-30H,4,16H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol?
1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol has a molecular weight of 447.54 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol is sourced from PubChem (CID 67665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).