2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H23N5O2S — CID 137018410

IUPAC2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCSCC1
InChIInChI=1S/C17H23N5O2S/c1-11-15(17(24)21-6-8-25-9-7-21)16-19-14(23)10-13(22(16)20-11)12-2-4-18-5-3-12/h10,12,18H,2-9H2,1H3,(H,19,23)
InChIKeyVONVMRKIJLWEGF-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.99
Rot. Bonds2

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

2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018410) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018410
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCSCC1
InChIInChI=1S/C17H23N5O2S/c1-11-15(17(24)21-6-8-25-9-7-21)16-19-14(23)10-13(22(16)20-11)12-2-4-18-5-3-12/h10,12,18H,2-9H2,1H3,(H,19,23)
InChIKeyVONVMRKIJLWEGF-UHFFFAOYSA-N
XLogP0.99
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018410) is 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCSCC1.
What is the InChIKey of 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VONVMRKIJLWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-15(17(24)21-6-8-25-9-7-21)16-19-14(23)10-13(22(16)20-11)12-2-4-18-5-3-12/h10,12,18H,2-9H2,1H3,(H,19,23).
What are the key properties of 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 361.47 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-piperidin-4-yl-3-(thiomorpholine-4-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).