1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea

C19H18ClN7OS — CID 10238120

IUPAC1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCc1cc(NNC(=O)Nc2csc(-c3ccccc3Cl)n2)nc2c1c(C)nn2C
InChIInChI=1S/C19H18ClN7OS/c1-10-8-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-6-4-5-7-13(12)20/h4-9H,1-3H3,(H,21,24)(H2,23,25,28)
InChIKeyGEUAUAOKHBWGGF-UHFFFAOYSA-N
MW427.92 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea

1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (PubChem CID 10238120) has the molecular formula C19H18ClN7OS and a molecular weight of 427.92 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
PubChem CID10238120
Molecular FormulaC19H18ClN7OS
Molecular Weight427.92 g/mol
Exact Mass427.10
IUPAC Name1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCc1cc(NNC(=O)Nc2csc(-c3ccccc3Cl)n2)nc2c1c(C)nn2C
InChIInChI=1S/C19H18ClN7OS/c1-10-8-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-6-4-5-7-13(12)20/h4-9H,1-3H3,(H,21,24)(H2,23,25,28)
InChIKeyGEUAUAOKHBWGGF-UHFFFAOYSA-N
XLogP4.51
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.92
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 647685
2-[6-(2-Chloro-phenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide
CID 3228959
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945494
1-[[4-(5-Chlorothiophen-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]amino]-3-(2,6-dichloro-4-pyridinyl)urea
CID 168278839
2-chloro-N'-(1,4-dimethyl-3-thiophen-2-ylpyrazolo[5,4-b]pyridin-6-yl)benzohydrazide
CID 155566241
4-[3-(2-chloro-3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole
CID 76281410
1-[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 10126903
1-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 10150923
1-[(1,3-Dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea
CID 10151361
1-[(1,3-Dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]-3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]urea
CID 10151362
1-[5-Chloro-4-(4-fluorophenyl)thiophen-2-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 10151464
1-[5-Chloro-4-(3-chloro-4-fluorophenyl)thiophen-2-yl]-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 10152411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (CID 10238120) is 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is Cc1cc(NNC(=O)Nc2csc(-c3ccccc3Cl)n2)nc2c1c(C)nn2C.
What is the InChIKey of 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The InChIKey is GEUAUAOKHBWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7OS/c1-10-8-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-6-4-5-7-13(12)20/h4-9H,1-3H3,(H,21,24)(H2,23,25,28).
What are the key properties of 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea has a molecular weight of 427.92 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is sourced from PubChem (CID 10238120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).