4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide

C16H18N8O2S — CID 137449963

IUPAC4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C16H18N8O2S/c1-17-12-5-11(21-10-7-27-23-13(10)16(26)18-2)22-14-9(6-19-24(12)14)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22)
InChIKeyZGHBJAAXGMCCQW-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.22
Rot. Bonds6

About 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide

4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 137449963) has the molecular formula C16H18N8O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID137449963
Molecular FormulaC16H18N8O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C16H18N8O2S/c1-17-12-5-11(21-10-7-27-23-13(10)16(26)18-2)22-14-9(6-19-24(12)14)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22)
InChIKeyZGHBJAAXGMCCQW-UHFFFAOYSA-N
XLogP1.22
TPSA125.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide 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

N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678708
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449164
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 134417201
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
N-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678692
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504
CID 142523922
CID 142523922
N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457791
N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678777
N-cyclopropyl-5-[[1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449214

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide (CID 137449963) is 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide is CNC(=O)c1nscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is ZGHBJAAXGMCCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2S/c1-17-12-5-11(21-10-7-27-23-13(10)16(26)18-2)22-14-9(6-19-24(12)14)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22).
What are the key properties of 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 137449963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).