(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C15H16ClN3O — CID 60628232

IUPAC(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cccnc1Cl)C2C
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13-11(2)19(9-8-18(10)13)15(20)12-4-3-7-17-14(12)16/h3-7,11H,8-9H2,1-2H3
InChIKeyBRNUQPALCUQPHK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.06
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 60628232) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID60628232
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cccnc1Cl)C2C
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13-11(2)19(9-8-18(10)13)15(20)12-4-3-7-17-14(12)16/h3-7,11H,8-9H2,1-2H3
InChIKeyBRNUQPALCUQPHK-UHFFFAOYSA-N
XLogP3.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 60628232) is (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1ccc2n1CCN(C(=O)c1cccnc1Cl)C2C.
What is the InChIKey of (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is BRNUQPALCUQPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-5-6-13-11(2)19(9-8-18(10)13)15(20)12-4-3-7-17-14(12)16/h3-7,11H,8-9H2,1-2H3.
What are the key properties of (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 289.77 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 60628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).