5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H17N7S — CID 56881323

IUPAC5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2csc(-c3ncccn3)n2)n2nccc2n1
InChIInChI=1S/C17H17N7S/c1-11(2)13-8-15(24-14(23-13)4-7-21-24)20-9-12-10-25-17(22-12)16-18-5-3-6-19-16/h3-8,10-11,20H,9H2,1-2H3
InChIKeyBEEIPIDTWZVGQR-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.38
Rot. Bonds5

About 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56881323) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56881323
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2csc(-c3ncccn3)n2)n2nccc2n1
InChIInChI=1S/C17H17N7S/c1-11(2)13-8-15(24-14(23-13)4-7-21-24)20-9-12-10-25-17(22-12)16-18-5-3-6-19-16/h3-8,10-11,20H,9H2,1-2H3
InChIKeyBEEIPIDTWZVGQR-UHFFFAOYSA-N
XLogP3.38
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952795
US10336761, Example 12
CID 126499877
N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)thiazol-2-amine
CID 53321968
5-(Piperidin-3-yl)-3-(thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53317703
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 66836949
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 84599484
5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193381
US10336761, Example 88
CID 126499509
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104521
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 53499063

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56881323) is 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCc2csc(-c3ncccn3)n2)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BEEIPIDTWZVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-11(2)13-8-15(24-14(23-13)4-7-21-24)20-9-12-10-25-17(22-12)16-18-5-3-6-19-16/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56881323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).