3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C93H84Cl4N8O11 — CID 159958017

IUPAC3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1c(Cc2c[nH]c3ncccc23)cccc1OCc1ccc(Cl)cc1.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(OC)c1c[nH]c2ncccc12
InChIInChI=1S/C24H23ClN2O3.C23H21ClN2O3.C23H19ClN2O3.C23H21ClN2O2/c1-3-29-23-19(22(28-2)20-14-27-24-18(20)7-5-13-26-24)6-4-8-21(23)30-15-16-9-11-17(25)12-10-16;2*1-2-28-22-18(21(27)19-13-26-23-17(19)6-4-12-25-23)5-3-7-20(22)29-14-15-8-10-16(24)11-9-15;1-2-27-22-17(13-18-14-26-23-20(18)6-4-12-25-23)5-3-7-21(22)28-15-16-8-10-19(24)11-9-16/h4-14,22H,3,15H2,1-2H3,(H,26,27);3-13,21,27H,2,14H2,1H3,(H,25,26);3-13H,2,14H2,1H3,(H,25,26);3-12,14H,2,13,15H2,1H3,(H,25,26)
InChIKeyOCYQZRHHXFYXLE-UHFFFAOYSA-N
MW1631.55 g/mol
LogP22.42
Rot. Bonds29

About 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 159958017) has the molecular formula C93H84Cl4N8O11 and a molecular weight of 1631.55 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID159958017
Molecular FormulaC93H84Cl4N8O11
Molecular Weight1631.55 g/mol
Exact Mass1628.50
IUPAC Name3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1c(Cc2c[nH]c3ncccc23)cccc1OCc1ccc(Cl)cc1.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(OC)c1c[nH]c2ncccc12
InChIInChI=1S/C24H23ClN2O3.C23H21ClN2O3.C23H19ClN2O3.C23H21ClN2O2/c1-3-29-23-19(22(28-2)20-14-27-24-18(20)7-5-13-26-24)6-4-8-21(23)30-15-16-9-11-17(25)12-10-16;2*1-2-28-22-18(21(27)19-13-26-23-17(19)6-4-12-25-23)5-3-7-20(22)29-14-15-8-10-16(24)11-9-15;1-2-27-22-17(13-18-14-26-23-20(18)6-4-12-25-23)5-3-7-21(22)28-15-16-8-10-19(24)11-9-16/h4-14,22H,3,15H2,1-2H3,(H,26,27);3-13,21,27H,2,14H2,1H3,(H,25,26);3-13H,2,14H2,1H3,(H,25,26);3-12,14H,2,13,15H2,1H3,(H,25,26)
InChIKeyOCYQZRHHXFYXLE-UHFFFAOYSA-N
XLogP22.42
TPSA235.09 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.55
LogP ≤ 522.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone with MolForge

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Related Compounds

[3-[(4-chlorophenyl)methoxy]-2-(2,2-difluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086893
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086108
(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59803810
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086764
(Z,3Z)-3-[4-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-2-methylidene-1H-pyrrol-3-ylidene]prop-1-en-1-amine
CID 71085299
[4-[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66813630
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157343541

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 159958017) is 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCOc1c(Cc2c[nH]c3ncccc23)cccc1OCc1ccc(Cl)cc1.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(=O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(O)c1c[nH]c2ncccc12.CCOc1c(OCc2ccc(Cl)cc2)cccc1C(OC)c1c[nH]c2ncccc12.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is OCYQZRHHXFYXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3.C23H21ClN2O3.C23H19ClN2O3.C23H21ClN2O2/c1-3-29-23-19(22(28-2)20-14-27-24-18(20)7-5-13-26-24)6-4-8-21(23)30-15-16-9-11-17(25)12-10-16;2*1-2-28-22-18(21(27)19-13-26-23-17(19)6-4-12-25-23)5-3-7-20(22)29-14-15-8-10-16(24)11-9-15;1-2-27-22-17(13-18-14-26-23-20(18)6-4-12-25-23)5-3-7-21(22)28-15-16-8-10-19(24)11-9-16/h4-14,22H,3,15H2,1-2H3,(H,26,27);3-13,21,27H,2,14H2,1H3,(H,25,26);3-13H,2,14H2,1H3,(H,25,26);3-12,14H,2,13,15H2,1H3,(H,25,26).
What are the key properties of 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 1631.55 g/mol, XLogP of 22.42, 29 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 159958017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).