(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

C16H14BrClN4O — CID 68800895

IUPAC(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2ccc(Br)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C16H14BrClN4O/c1-10-14-4-5-15(17)21(14)7-6-20(10)16(23)13-8-12-3-2-11(18)9-22(12)19-13/h2-5,8-10H,6-7H2,1H3
InChIKeyXLBBFCYTRSVTAQ-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.77
Rot. Bonds1

About (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68800895) has the molecular formula C16H14BrClN4O and a molecular weight of 393.67 g/mol. Its IUPAC name is (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68800895
Molecular FormulaC16H14BrClN4O
Molecular Weight393.67 g/mol
Exact Mass392.00
IUPAC Name(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2ccc(Br)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C16H14BrClN4O/c1-10-14-4-5-15(17)21(14)7-6-20(10)16(23)13-8-12-3-2-11(18)9-22(12)19-13/h2-5,8-10H,6-7H2,1H3
InChIKeyXLBBFCYTRSVTAQ-UHFFFAOYSA-N
XLogP3.77
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68800895) is (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is CC1c2ccc(Br)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is XLBBFCYTRSVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O/c1-10-14-4-5-15(17)21(14)7-6-20(10)16(23)13-8-12-3-2-11(18)9-22(12)19-13/h2-5,8-10H,6-7H2,1H3.
What are the key properties of (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 393.67 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 68800895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).