[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

C20H27N5O3 — CID 164699221

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3nc(C4CC4)nc3[C@@H]2CC(C)C)c(OC)n1
InChIInChI=1S/C20H27N5O3/c1-12(2)11-15-18-22-17(13-5-6-13)23-25(18)10-9-24(15)20(26)14-7-8-16(27-3)21-19(14)28-4/h7-8,12-13,15H,5-6,9-11H2,1-4H3/t15-/m0/s1
InChIKeyDLFSBUCBDNCSTC-HNNXBMFYSA-N
MW385.47 g/mol
LogP2.81
Rot. Bonds6

About [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (PubChem CID 164699221) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
PubChem CID164699221
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3nc(C4CC4)nc3[C@@H]2CC(C)C)c(OC)n1
InChIInChI=1S/C20H27N5O3/c1-12(2)11-15-18-22-17(13-5-6-13)23-25(18)10-9-24(15)20(26)14-7-8-16(27-3)21-19(14)28-4/h7-8,12-13,15H,5-6,9-11H2,1-4H3/t15-/m0/s1
InChIKeyDLFSBUCBDNCSTC-HNNXBMFYSA-N
XLogP2.81
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
CID 164693925
(3-chloro-4-methoxyphenyl)-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164696413
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
CID 164690786
4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
CID 165417877
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 164698895
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
CID 164697146
(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
CID 165420164
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
CID 164699474
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 164692337
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
CID 164695747
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 164692596
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 164691661

Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (CID 164699221) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCn3nc(C4CC4)nc3[C@@H]2CC(C)C)c(OC)n1.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The InChIKey is DLFSBUCBDNCSTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-12(2)11-15-18-22-17(13-5-6-13)23-25(18)10-9-24(15)20(26)14-7-8-16(27-3)21-19(14)28-4/h7-8,12-13,15H,5-6,9-11H2,1-4H3/t15-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone has a molecular weight of 385.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 164699221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).