(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C17H19ClN4O2 — CID 99933934

IUPAC(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCn1c(C(=O)N2CCN3CCNC(=O)[C@H]3C2)cc2c(Cl)cccc21
InChIInChI=1S/C17H19ClN4O2/c1-20-13-4-2-3-12(18)11(13)9-14(20)17(24)22-8-7-21-6-5-19-16(23)15(21)10-22/h2-4,9,15H,5-8,10H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeySPDPBSZTNBYAEV-OAHLLOKOSA-N
MW346.82 g/mol
LogP1.09
Rot. Bonds1

About (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 99933934) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID99933934
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCn1c(C(=O)N2CCN3CCNC(=O)[C@H]3C2)cc2c(Cl)cccc21
InChIInChI=1S/C17H19ClN4O2/c1-20-13-4-2-3-12(18)11(13)9-14(20)17(24)22-8-7-21-6-5-19-16(23)15(21)10-22/h2-4,9,15H,5-8,10H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeySPDPBSZTNBYAEV-OAHLLOKOSA-N
XLogP1.09
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Launch Full Analysis

Related Compounds

(4-chloro-1-methylindol-2-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
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CID 50985377
(9aR)-2-(2-methyl-1,8-naphthyridine-3-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95124845
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95143432
2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50980143
3-[(9aS)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-4-methylbenzenesulfonamide
CID 95120525
(9aS)-2-(2-pyrrol-1-ylacetyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95123348
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50978941
2-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 99933934) is (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cn1c(C(=O)N2CCN3CCNC(=O)[C@H]3C2)cc2c(Cl)cccc21.
What is the InChIKey of (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is SPDPBSZTNBYAEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-20-13-4-2-3-12(18)11(13)9-14(20)17(24)22-8-7-21-6-5-19-16(23)15(21)10-22/h2-4,9,15H,5-8,10H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
(9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 346.82 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(4-chloro-1-methylindole-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 99933934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).