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

C19H28ClN5O3 — CID 139326951

IUPAC3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C19H27N5O3.ClH/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);1H
InChIKeyNSKSQTILJKIBJC-UHFFFAOYSA-N
MW409.92 g/mol
LogP1.47
Rot. Bonds2

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

3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 139326951) has the molecular formula C19H28ClN5O3 and a molecular weight of 409.92 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;hydrochloride.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID139326951
Molecular FormulaC19H28ClN5O3
Molecular Weight409.92 g/mol
Exact Mass409.19
IUPAC Name3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C19H27N5O3.ClH/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);1H
InChIKeyNSKSQTILJKIBJC-UHFFFAOYSA-N
XLogP1.47
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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;hydrochloride?
The IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 139326951) is 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
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;hydrochloride?
The canonical SMILES for 3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)OC(C)C1.Cl.
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;hydrochloride?
The InChIKey is NSKSQTILJKIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.ClH/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);1H.
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;hydrochloride?
3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 1.47, 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;hydrochloride is sourced from PubChem (CID 139326951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).