(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C16H19ClN6O2 — CID 95137677

IUPAC(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1cnc2c(Cl)c(C(=O)N3CCN4CCN(C)C(=O)[C@@H]4C3)nn2c1
InChIInChI=1S/C16H19ClN6O2/c1-10-7-18-14-12(17)13(19-23(14)8-10)16(25)22-6-5-21-4-3-20(2)15(24)11(21)9-22/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyPSNAXTOUMZEHGE-NSHDSACASA-N
MW362.82 g/mol
LogP0.29
Rot. Bonds1

About (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95137677) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95137677
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1cnc2c(Cl)c(C(=O)N3CCN4CCN(C)C(=O)[C@@H]4C3)nn2c1
InChIInChI=1S/C16H19ClN6O2/c1-10-7-18-14-12(17)13(19-23(14)8-10)16(25)22-6-5-21-4-3-20(2)15(24)11(21)9-22/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyPSNAXTOUMZEHGE-NSHDSACASA-N
XLogP0.29
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

3-Chloro-2-[(2-ethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2982117
2-{2-[(8-methyloctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}ethanol
CID 50985177
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72125336
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
CID 56821146
3-Chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-isopropyl-6-methylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 77086511
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 95722359
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99943078
3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99961088
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 125526078
3-Chloro-6-methyl-2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 56865116

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95137677) is (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is Cc1cnc2c(Cl)c(C(=O)N3CCN4CCN(C)C(=O)[C@@H]4C3)nn2c1.
What is the InChIKey of (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is PSNAXTOUMZEHGE-NSHDSACASA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-10-7-18-14-12(17)13(19-23(14)8-10)16(25)22-6-5-21-4-3-20(2)15(24)11(21)9-22/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 362.82 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95137677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).