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

C15H13Cl2N5O — CID 58095769

IUPAC(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC1c2ccc(Cl)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C15H13Cl2N5O/c1-9-12-2-3-13(17)21(12)5-4-20(9)15(23)11-6-14-18-7-10(16)8-22(14)19-11/h2-3,6-9H,4-5H2,1H3
InChIKeyIPMQIPGNSUWBBE-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.05
Rot. Bonds1

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

(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 58095769) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID58095769
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC1c2ccc(Cl)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C15H13Cl2N5O/c1-9-12-2-3-13(17)21(12)5-4-20(9)15(23)11-6-14-18-7-10(16)8-22(14)19-11/h2-3,6-9H,4-5H2,1H3
InChIKeyIPMQIPGNSUWBBE-UHFFFAOYSA-N
XLogP3.05
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 58095769) is (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone is CC1c2ccc(Cl)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is IPMQIPGNSUWBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-9-12-2-3-13(17)21(12)5-4-20(9)15(23)11-6-14-18-7-10(16)8-22(14)19-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?
(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 350.21 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 58095769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).