3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C19H27N5O3 — CID 137018361

IUPAC3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H27N5O3/c1-11-9-23(10-12(2)27-11)19(26)17-13(3)22-24-15(8-16(25)21-18(17)24)14-4-6-20-7-5-14/h8,11-12,14,20H,4-7,9-10H2,1-3H3,(H,21,25)
InChIKeyVKSUVKQGZZHEMZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.05
Rot. Bonds2

About 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018361) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018361
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H27N5O3/c1-11-9-23(10-12(2)27-11)19(26)17-13(3)22-24-15(8-16(25)21-18(17)24)14-4-6-20-7-5-14/h8,11-12,14,20H,4-7,9-10H2,1-3H3,(H,21,25)
InChIKeyVKSUVKQGZZHEMZ-UHFFFAOYSA-N
XLogP1.05
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 429
CID 137018588
US10118930, Example 464
CID 137018756
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316
US10118930, Example 420
CID 137018362
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364
US10118930, Example 432
CID 137018384
US10118930, Example 434
CID 137018387
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408
US10118930, Example 397
CID 137018410

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018361) is 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VKSUVKQGZZHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11-9-23(10-12(2)27-11)19(26)17-13(3)22-24-15(8-16(25)21-18(17)24)14-4-6-20-7-5-14/h8,11-12,14,20H,4-7,9-10H2,1-3H3,(H,21,25).
What are the key properties of 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 373.46 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).