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

C12H18N6OS — CID 135293268

IUPAC1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea
SMILESCCNc1n[nH]c2cc(NC(=O)NCCSC)ncc12
InChIInChI=1S/C12H18N6OS/c1-3-13-11-8-7-15-10(6-9(8)17-18-11)16-12(19)14-4-5-20-2/h6-7H,3-5H2,1-2H3,(H2,13,17,18)(H2,14,15,16,19)
InChIKeyXJZLIQOZJKMYKF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.87
Rot. Bonds6

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

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea (PubChem CID 135293268) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea.

Molecular Properties

Compound Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea
PubChem CID135293268
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea
SMILESCCNc1n[nH]c2cc(NC(=O)NCCSC)ncc12
InChIInChI=1S/C12H18N6OS/c1-3-13-11-8-7-15-10(6-9(8)17-18-11)16-12(19)14-4-5-20-2/h6-7H,3-5H2,1-2H3,(H2,13,17,18)(H2,14,15,16,19)
InChIKeyXJZLIQOZJKMYKF-UHFFFAOYSA-N
XLogP1.87
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123871133
1-cyclopentyl-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123393870
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
CID 118395378
1-[(1S)-1-cyclohexa-2,4-dien-1-yl-2-methoxyethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 135293276
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
1-(2-methylsulfanylethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 154798205
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024
1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
CID 67448411
acetylene;1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-(2-methylsulfanylethyl)urea;benzene;ethane
CID 144598779
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea?
The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea (CID 135293268) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea.
What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea?
The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea is CCNc1n[nH]c2cc(NC(=O)NCCSC)ncc12.
What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea?
The InChIKey is XJZLIQOZJKMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-13-11-8-7-15-10(6-9(8)17-18-11)16-12(19)14-4-5-20-2/h6-7H,3-5H2,1-2H3,(H2,13,17,18)(H2,14,15,16,19).
What are the key properties of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea?
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea has a molecular weight of 294.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea is sourced from PubChem (CID 135293268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).