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

C19H18FN7OS — CID 10126903

IUPAC1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCc1cc(NNC(=O)Nc2csc(-c3cccc(F)c3)n2)nc2c1c(C)nn2C
InChIInChI=1S/C19H18FN7OS/c1-10-7-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-5-4-6-13(20)8-12/h4-9H,1-3H3,(H,21,24)(H2,23,25,28)
InChIKeyGLRLKLPUJLEEMO-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.00
Rot. Bonds4

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

1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (PubChem CID 10126903) has the molecular formula C19H18FN7OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
PubChem CID10126903
Molecular FormulaC19H18FN7OS
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC Name1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
SMILESCc1cc(NNC(=O)Nc2csc(-c3cccc(F)c3)n2)nc2c1c(C)nn2C
InChIInChI=1S/C19H18FN7OS/c1-10-7-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-5-4-6-13(20)8-12/h4-9H,1-3H3,(H,21,24)(H2,23,25,28)
InChIKeyGLRLKLPUJLEEMO-UHFFFAOYSA-N
XLogP4.00
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]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-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea (CID 10126903) is 1-[2-(3-fluorophenyl)-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-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is Cc1cc(NNC(=O)Nc2csc(-c3cccc(F)c3)n2)nc2c1c(C)nn2C.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
The InChIKey is GLRLKLPUJLEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-10-7-14(21-17-16(10)11(2)26-27(17)3)24-25-19(28)23-15-9-29-18(22-15)12-5-4-6-13(20)8-12/h4-9H,1-3H3,(H,21,24)(H2,23,25,28).
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea?
1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea has a molecular weight of 411.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]urea is sourced from PubChem (CID 10126903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).