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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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).