(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H25FN6O — CID 92625186

IUPAC(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4cc(F)ccc4n2C)C3)C1
InChIInChI=1S/C21H25FN6O/c1-25-7-3-4-14(12-25)20-24-23-19-13-27(8-9-28(19)20)21(29)18-11-15-10-16(22)5-6-17(15)26(18)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeySDMVNPSDIGFRKT-CQSZACIVSA-N
MW396.47 g/mol
LogP2.37
Rot. Bonds2

About (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 92625186) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID92625186
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4cc(F)ccc4n2C)C3)C1
InChIInChI=1S/C21H25FN6O/c1-25-7-3-4-14(12-25)20-24-23-19-13-27(8-9-28(19)20)21(29)18-11-15-10-16(22)5-6-17(15)26(18)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeySDMVNPSDIGFRKT-CQSZACIVSA-N
XLogP2.37
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(6-fluoro-1H-indol-2-yl)-[3-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 110262078
2-(4-fluorophenyl)-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110260206
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379
2-(4-fluorophenoxy)-1-[3-[(3R)-1-methylpiperidin-3-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 92623966
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
2,2-dimethyl-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 110260197
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 110260221
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
[3-[(3R)-1-methylpiperidin-3-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 95828788
[4-(methoxymethyl)phenyl]-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 110260219
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
3-(4-fluorophenyl)-1-[3-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]propan-1-one
CID 110260287

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 92625186) is (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4cc(F)ccc4n2C)C3)C1.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is SDMVNPSDIGFRKT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-25-7-3-4-14(12-25)20-24-23-19-13-27(8-9-28(19)20)21(29)18-11-15-10-16(22)5-6-17(15)26(18)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 92625186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).