1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea

C15H18N6OS — CID 138025750

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cnn3ccccc23)n1
InChIInChI=1S/C15H18N6OS/c1-20(2)9-11-10-23-14(18-11)8-16-15(22)19-12-7-17-21-6-4-3-5-13(12)21/h3-7,10H,8-9H2,1-2H3,(H2,16,19,22)
InChIKeyBRFTXAXCIVWCDR-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.17
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea (PubChem CID 138025750) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
PubChem CID138025750
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cnn3ccccc23)n1
InChIInChI=1S/C15H18N6OS/c1-20(2)9-11-10-23-14(18-11)8-16-15(22)19-12-7-17-21-6-4-3-5-13(12)21/h3-7,10H,8-9H2,1-2H3,(H2,16,19,22)
InChIKeyBRFTXAXCIVWCDR-UHFFFAOYSA-N
XLogP2.17
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea 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-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea (CID 138025750) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea is CN(C)Cc1csc(CNC(=O)Nc2cnn3ccccc23)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The InChIKey is BRFTXAXCIVWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-20(2)9-11-10-23-14(18-11)8-16-15(22)19-12-7-17-21-6-4-3-5-13(12)21/h3-7,10H,8-9H2,1-2H3,(H2,16,19,22).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea has a molecular weight of 330.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-pyrazolo[1,5-a]pyridin-3-ylurea is sourced from PubChem (CID 138025750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).