4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one

C18H22N6OS — CID 138597076

IUPAC4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C3CCNCC3)c2)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C18H22N6OS/c1-11(2)15-16(22-17(23-18(15)25)14-8-20-10-26-14)12-7-21-24(9-12)13-3-5-19-6-4-13/h7-11,13,19H,3-6H2,1-2H3,(H,22,23,25)
InChIKeyIWNBXCVJHKIPLK-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.80
Rot. Bonds4

About 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one

4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 138597076) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
PubChem CID138597076
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C3CCNCC3)c2)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C18H22N6OS/c1-11(2)15-16(22-17(23-18(15)25)14-8-20-10-26-14)12-7-21-24(9-12)13-3-5-19-6-4-13/h7-11,13,19H,3-6H2,1-2H3,(H,22,23,25)
InChIKeyIWNBXCVJHKIPLK-UHFFFAOYSA-N
XLogP2.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (CID 138597076) is 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is CC(C)c1c(-c2cnn(C3CCNCC3)c2)nc(-c2cncs2)[nH]c1=O.
What is the InChIKey of 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is IWNBXCVJHKIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-11(2)15-16(22-17(23-18(15)25)14-8-20-10-26-14)12-7-21-24(9-12)13-3-5-19-6-4-13/h7-11,13,19H,3-6H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 370.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-4-ylpyrazol-4-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138597076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).