[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C21H18ClN3O3 — CID 58065912

IUPAC[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13/h2-11,20,26H,12H2,1H3,(H,23,25)
InChIKeyLNVBRWXZUJNRNF-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.28
Rot. Bonds6

About [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 58065912) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID58065912
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13/h2-11,20,26H,12H2,1H3,(H,23,25)
InChIKeyLNVBRWXZUJNRNF-UHFFFAOYSA-N
XLogP4.28
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 58065912) is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is COc1cc(C(O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.
What is the InChIKey of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is LNVBRWXZUJNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13/h2-11,20,26H,12H2,1H3,(H,23,25).
What are the key properties of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 395.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 58065912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).