1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea

C31H35N5O3 — CID 46074426

IUPAC1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
SMILESCCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccc(OC)cc1)CC2)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C31H35N5O3/c1-4-35(31(37)32-24-12-16-27(39-3)17-13-24)22-29-28-21-34(20-23-10-14-26(38-2)15-11-23)19-18-30(28)36(33-29)25-8-6-5-7-9-25/h5-17H,4,18-22H2,1-3H3,(H,32,37)
InChIKeyRNHHVHGAEHYWGS-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.50
Rot. Bonds9

About 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea

1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea (PubChem CID 46074426) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
PubChem CID46074426
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC Name1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
SMILESCCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccc(OC)cc1)CC2)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C31H35N5O3/c1-4-35(31(37)32-24-12-16-27(39-3)17-13-24)22-29-28-21-34(20-23-10-14-26(38-2)15-11-23)19-18-30(28)36(33-29)25-8-6-5-7-9-25/h5-17H,4,18-22H2,1-3H3,(H,32,37)
InChIKeyRNHHVHGAEHYWGS-UHFFFAOYSA-N
XLogP5.50
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea 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 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea (CID 46074426) is 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea is CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccc(OC)cc1)CC2)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The InChIKey is RNHHVHGAEHYWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-4-35(31(37)32-24-12-16-27(39-3)17-13-24)22-29-28-21-34(20-23-10-14-26(38-2)15-11-23)19-18-30(28)36(33-29)25-8-6-5-7-9-25/h5-17H,4,18-22H2,1-3H3,(H,32,37).
What are the key properties of 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea has a molecular weight of 525.65 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea is sourced from PubChem (CID 46074426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).