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

C19H27N5O2 — CID 137018569

IUPAC3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1C
InChIInChI=1S/C19H27N5O2/c1-12-4-3-9-23(13(12)2)19(26)15-11-21-24-16(10-17(25)22-18(15)24)14-5-7-20-8-6-14/h10-14,20H,3-9H2,1-2H3,(H,22,25)
InChIKeyVIABHBWVBIQSSR-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.75
Rot. Bonds2

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

3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018569) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018569
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1C
InChIInChI=1S/C19H27N5O2/c1-12-4-3-9-23(13(12)2)19(26)15-11-21-24-16(10-17(25)22-18(15)24)14-5-7-20-8-6-14/h10-14,20H,3-9H2,1-2H3,(H,22,25)
InChIKeyVIABHBWVBIQSSR-UHFFFAOYSA-N
XLogP1.75
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
US10118930, Example 101
CID 137018280
US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668
2-[4-(4-Cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049270
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 83
CID 137018276
US10118930, Example 82
CID 137018277

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018569) is 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1CCCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1C.
What is the InChIKey of 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VIABHBWVBIQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-4-3-9-23(13(12)2)19(26)15-11-21-24-16(10-17(25)22-18(15)24)14-5-7-20-8-6-14/h10-14,20H,3-9H2,1-2H3,(H,22,25).
What are the key properties of 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 357.46 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).