1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C17H18ClN5O2 — CID 123467913

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCc1nc(NC(=O)NCc2ccc(Cl)cc2)cc2[nH]nc(OC)c12
InChIInChI=1S/C17H18ClN5O2/c1-3-12-15-13(22-23-16(15)25-2)8-14(20-12)21-17(24)19-9-10-4-6-11(18)7-5-10/h4-8H,3,9H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyGRCAEMPPSRBHEE-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.50
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 123467913) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID123467913
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCc1nc(NC(=O)NCc2ccc(Cl)cc2)cc2[nH]nc(OC)c12
InChIInChI=1S/C17H18ClN5O2/c1-3-12-15-13(22-23-16(15)25-2)8-14(20-12)21-17(24)19-9-10-4-6-11(18)7-5-10/h4-8H,3,9H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyGRCAEMPPSRBHEE-UHFFFAOYSA-N
XLogP3.50
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

[6-[1-[(4-chloro-3-methylphenyl)methylamino]ethenylamino]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-4-yl]methanol
CID 144599089
1-[(1R)-1-(3,4-difluorophenyl)-2-hydroxy-2-methylpropyl]-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365338
1-[3-methoxy-4-(methylaminomethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365096
1-[3-methoxy-4-(pyrazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-propan-2-ylurea
CID 149242246
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R,2S)-2-hydroxy-3-methyl-1-phenylbutyl]urea
CID 118365064
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
methyl (2S)-2-[[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-pyridin-2-ylacetate
CID 118373968
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 118380837
1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[4-[(1S)-1-hydroxyethyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365012
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 123467913) is 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is CCc1nc(NC(=O)NCc2ccc(Cl)cc2)cc2[nH]nc(OC)c12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is GRCAEMPPSRBHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-3-12-15-13(22-23-16(15)25-2)8-14(20-12)21-17(24)19-9-10-4-6-11(18)7-5-10/h4-8H,3,9H2,1-2H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 359.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 123467913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).