3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide

C27H23N5O2 — CID 91405576

IUPAC3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1ccccc1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1
InChIInChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,29,33H,14H2,1H3,(H2,28,34)
InChIKeyNPRPZZLTAJLBCP-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.28
Rot. Bonds6

About 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide

3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 91405576) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID91405576
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1ccccc1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1
InChIInChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,29,33H,14H2,1H3,(H2,28,34)
InChIKeyNPRPZZLTAJLBCP-UHFFFAOYSA-N
XLogP4.28
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91459904
3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91174888
3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91353737
3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
CID 18754074
1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 90844831
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 91556230
3-[6-[2-fluoro-4-[2-[(2-hydroxyethylamino)methyl]phenyl]phenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide
CID 18753907
3-[6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-8-oxo-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-1-yl]benzamide
CID 18753924
3-[6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]benzamide
CID 18754024
3-[6-[4-[2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-8-oxo-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-1-yl]benzamide
CID 20610910
1-[3-(2-ethylphenyl)phenyl]-N'-hydroxybenzimidazole-5-carboximidamide
CID 91432292
4-(2-ethylphenyl)benzamide
CID 69080578

Frequently Asked Questions

What is the IUPAC name of 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide (CID 91405576) is 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide is CNCc1ccccc1-c1ccc(-c2ncc3ncn(-c4cccc(C(N)=O)c4)c3c2O)cc1.
What is the InChIKey of 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is NPRPZZLTAJLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,29,33H,14H2,1H3,(H2,28,34).
What are the key properties of 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-hydroxy-6-[4-[2-(methylaminomethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 91405576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).