1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol

C30H28N4O2 — CID 90844831

IUPAC1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCOc1ccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(O)c32)cc1
InChIInChI=1S/C30H28N4O2/c1-36-25-14-12-24(13-15-25)34-20-32-27-18-31-28(30(35)29(27)34)22-10-8-21(9-11-22)26-7-3-2-6-23(26)19-33-16-4-5-17-33/h2-3,6-15,18,20,35H,4-5,16-17,19H2,1H3
InChIKeyUWWHLEXUWQVABZ-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.06
Rot. Bonds6

About 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol

1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol (PubChem CID 90844831) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
PubChem CID90844831
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCOc1ccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(O)c32)cc1
InChIInChI=1S/C30H28N4O2/c1-36-25-14-12-24(13-15-25)34-20-32-27-18-31-28(30(35)29(27)34)22-10-8-21(9-11-22)26-7-3-2-6-23(26)19-33-16-4-5-17-33/h2-3,6-15,18,20,35H,4-5,16-17,19H2,1H3
InChIKeyUWWHLEXUWQVABZ-UHFFFAOYSA-N
XLogP6.06
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methoxyphenyl)-1-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]purin-6-one
CID 18753728
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 91556230
3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
CID 91405576
1-[2-fluoro-4-[2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 20610938
1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 18754092
6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
CID 90849978
1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-[2-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10166969
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
1-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 18753866
6-methoxy-2-phenyl-5-(piperidin-1-ylmethyl)pyridin-3-ol
CID 1402888
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150
6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 23636371

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol (CID 90844831) is 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol is COc1ccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(O)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The InChIKey is UWWHLEXUWQVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-36-25-14-12-24(13-15-25)34-20-32-27-18-31-28(30(35)29(27)34)22-10-8-21(9-11-22)26-7-3-2-6-23(26)19-33-16-4-5-17-33/h2-3,6-15,18,20,35H,4-5,16-17,19H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol has a molecular weight of 476.58 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 90844831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).