3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C23H26N6O — CID 157482112

IUPAC3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C23H26N6O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3
InChIKeyBWGXHSRDLDNGOS-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.39
Rot. Bonds5

About 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157482112) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157482112
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C23H26N6O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3
InChIKeyBWGXHSRDLDNGOS-UHFFFAOYSA-N
XLogP3.39
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669397
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
2-[2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123733970
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
CID 158833367
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 160734458
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
CID 158939204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 157482112) is 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2.
What is the InChIKey of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BWGXHSRDLDNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3.
What are the key properties of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 402.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157482112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).