4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol

C22H21N3O5 — CID 175065310

IUPAC4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol
SMILESCOc1ccc(O)cc1-c1cncc2ncn(-c3cc(OC)c(OC)c(OC)c3)c12
InChIInChI=1S/C22H21N3O5/c1-27-18-6-5-14(26)9-15(18)16-10-23-11-17-21(16)25(12-24-17)13-7-19(28-2)22(30-4)20(8-13)29-3/h5-12,26H,1-4H3
InChIKeyWIPVYMQIYGNINW-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.83
Rot. Bonds6

About 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol

4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 175065310) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol
PubChem CID175065310
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol
SMILESCOc1ccc(O)cc1-c1cncc2ncn(-c3cc(OC)c(OC)c(OC)c3)c12
InChIInChI=1S/C22H21N3O5/c1-27-18-6-5-14(26)9-15(18)16-10-23-11-17-21(16)25(12-24-17)13-7-19(28-2)22(30-4)20(8-13)29-3/h5-12,26H,1-4H3
InChIKeyWIPVYMQIYGNINW-UHFFFAOYSA-N
XLogP3.83
TPSA87.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol?
The IUPAC name of 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol (CID 175065310) is 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol.
What is the SMILES notation for 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol?
The canonical SMILES for 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol is COc1ccc(O)cc1-c1cncc2ncn(-c3cc(OC)c(OC)c(OC)c3)c12.
What is the InChIKey of 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol?
The InChIKey is WIPVYMQIYGNINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-27-18-6-5-14(26)9-15(18)16-10-23-11-17-21(16)25(12-24-17)13-7-19(28-2)22(30-4)20(8-13)29-3/h5-12,26H,1-4H3.
What are the key properties of 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol?
4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 407.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 175065310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).