1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C19H23N5O2 — CID 78110338

IUPAC1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCOCCCc1[nH]nc2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C19H23N5O2/c1-13(14-7-4-3-5-8-14)21-19(25)22-18-11-17-15(12-20-18)16(23-24-17)9-6-10-26-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,23,24)(H2,20,21,22,25)
InChIKeyYACZKRXTTLTDQA-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.42
Rot. Bonds7

About 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 78110338) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
PubChem CID78110338
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCOCCCc1[nH]nc2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C19H23N5O2/c1-13(14-7-4-3-5-8-14)21-19(25)22-18-11-17-15(12-20-18)16(23-24-17)9-6-10-26-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,23,24)(H2,20,21,22,25)
InChIKeyYACZKRXTTLTDQA-UHFFFAOYSA-N
XLogP3.42
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)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

1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 118380886
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555095
1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123688873
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365302
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 78110338) is 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is COCCCc1[nH]nc2cc(NC(=O)NC(C)c3ccccc3)ncc12.
What is the InChIKey of 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The InChIKey is YACZKRXTTLTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(14-7-4-3-5-8-14)21-19(25)22-18-11-17-15(12-20-18)16(23-24-17)9-6-10-26-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,23,24)(H2,20,21,22,25).
What are the key properties of 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 353.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 78110338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).