(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H15ClN6O2 — CID 68797870

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(-c3ccco3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H15ClN6O2/c1-11-16-20-21-17(15-3-2-8-27-15)24(16)7-6-23(11)18(26)14-9-13-5-4-12(19)10-25(13)22-14/h2-5,8-11H,6-7H2,1H3
InChIKeyFEHDZXJICZBFRE-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.06
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 68797870) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID68797870
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(-c3ccco3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H15ClN6O2/c1-11-16-20-21-17(15-3-2-8-27-15)24(16)7-6-23(11)18(26)14-9-13-5-4-12(19)10-25(13)22-14/h2-5,8-11H,6-7H2,1H3
InChIKeyFEHDZXJICZBFRE-UHFFFAOYSA-N
XLogP3.06
TPSA81.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 68797870) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC1c2nnc(-c3ccco3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is FEHDZXJICZBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11-16-20-21-17(15-3-2-8-27-15)24(16)7-6-23(11)18(26)14-9-13-5-4-12(19)10-25(13)22-14/h2-5,8-11H,6-7H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 382.81 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 68797870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).