3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone

C14H19ClN4O — CID 79946116

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCN3CCCC3C2)n1
InChIInChI=1S/C14H19ClN4O/c1-16-12-5-4-11(15)13(17-12)14(20)19-8-7-18-6-2-3-10(18)9-19/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyZUCMENOYDUORPQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.70
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone (PubChem CID 79946116) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
PubChem CID79946116
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCN3CCCC3C2)n1
InChIInChI=1S/C14H19ClN4O/c1-16-12-5-4-11(15)13(17-12)14(20)19-8-7-18-6-2-3-10(18)9-19/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyZUCMENOYDUORPQ-UHFFFAOYSA-N
XLogP1.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61051195
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540409
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62174078
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890107
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 63154830
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone (CID 79946116) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone is CNc1ccc(Cl)c(C(=O)N2CCN3CCCC3C2)n1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is ZUCMENOYDUORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-16-12-5-4-11(15)13(17-12)14(20)19-8-7-18-6-2-3-10(18)9-19/h4-5,10H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 294.79 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 79946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).