3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

C23H23N5O2 — CID 165423225

IUPAC3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2CN2Cc3[nH]cnc3C(c3cccc(O)c3)C2)cc1
InChIInChI=1S/C23H23N5O2/c1-30-19-7-5-15(6-8-19)22-17(10-26-27-22)11-28-12-20(16-3-2-4-18(29)9-16)23-21(13-28)24-14-25-23/h2-10,14,20,29H,11-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyJSMNVTZEPFZSNZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.66
Rot. Bonds5

About 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 165423225) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
PubChem CID165423225
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2CN2Cc3[nH]cnc3C(c3cccc(O)c3)C2)cc1
InChIInChI=1S/C23H23N5O2/c1-30-19-7-5-15(6-8-19)22-17(10-26-27-22)11-28-12-20(16-3-2-4-18(29)9-16)23-21(13-28)24-14-25-23/h2-10,14,20,29H,11-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyJSMNVTZEPFZSNZ-UHFFFAOYSA-N
XLogP3.66
TPSA90.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The IUPAC name of 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (CID 165423225) is 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.
What is the SMILES notation for 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The canonical SMILES for 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is COc1ccc(-c2[nH]ncc2CN2Cc3[nH]cnc3C(c3cccc(O)c3)C2)cc1.
What is the InChIKey of 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The InChIKey is JSMNVTZEPFZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-30-19-7-5-15(6-8-19)22-17(10-26-27-22)11-28-12-20(16-3-2-4-18(29)9-16)23-21(13-28)24-14-25-23/h2-10,14,20,29H,11-13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 401.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 165423225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).