3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C19H25N5OS — CID 137018530

IUPAC3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)CCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C19H25N5OS/c1-12(2)3-4-14-11-26-19(22-14)15-10-21-24-16(9-17(25)23-18(15)24)13-5-7-20-8-6-13/h9-13,20H,3-8H2,1-2H3,(H,23,25)
InChIKeyJGBIBCCDWBGJCB-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.20
Rot. Bonds5

About 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018530) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018530
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)CCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C19H25N5OS/c1-12(2)3-4-14-11-26-19(22-14)15-10-21-24-16(9-17(25)23-18(15)24)13-5-7-20-8-6-13/h9-13,20H,3-8H2,1-2H3,(H,23,25)
InChIKeyJGBIBCCDWBGJCB-UHFFFAOYSA-N
XLogP3.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,4-difluorocyclohexyl)-6-[(1R,2R)-2-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136207899
US10118930, Example 307
CID 137018557
US10118930, Example 334
CID 137018631
US10118930, Example 351
CID 137018671
US10118930, Example 253
CID 137018260
US10118930, Example 258
CID 137018306
US10118930, Example 328
CID 137018367
US10118930, Example 259
CID 137018420
US10118930, Example 271
CID 137018526
US10118930, Example 336
CID 137018617
US10118930, Example 250
CID 137018627
US10118930, Example 311
CID 137018654

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018530) is 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)CCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JGBIBCCDWBGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-12(2)3-4-14-11-26-19(22-14)15-10-21-24-16(9-17(25)23-18(15)24)13-5-7-20-8-6-13/h9-13,20H,3-8H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).