5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile

C26H24N6 — CID 167483295

IUPAC5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)Cc2c3ccc(C4=CCNCC4)cc3nn21
InChIInChI=1S/C26H24N6/c1-17-15-31(24-7-5-20(14-27)26-22(24)3-2-10-29-26)16-25-21-6-4-19(13-23(21)30-32(17)25)18-8-11-28-12-9-18/h2-8,10,13,17,28H,9,11-12,15-16H2,1H3/t17-/m1/s1
InChIKeyYWFOWIMPNZGZPJ-QGZVFWFLSA-N
MW420.52 g/mol
LogP4.41
Rot. Bonds2

About 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile

5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile (PubChem CID 167483295) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile
PubChem CID167483295
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)Cc2c3ccc(C4=CCNCC4)cc3nn21
InChIInChI=1S/C26H24N6/c1-17-15-31(24-7-5-20(14-27)26-22(24)3-2-10-29-26)16-25-21-6-4-19(13-23(21)30-32(17)25)18-8-11-28-12-9-18/h2-8,10,13,17,28H,9,11-12,15-16H2,1H3/t17-/m1/s1
InChIKeyYWFOWIMPNZGZPJ-QGZVFWFLSA-N
XLogP4.41
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile with MolForge

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Related Compounds

5-[(4R)-4-methyl-9-piperazin-1-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile
CID 167483282
5-[(4R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155192423
5-[4-methyl-8-(2-piperazin-1-yl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155205766
5-[(4R,9aS)-4-methyl-8-(2-piperazin-1-yl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155205768
5-[(4R)-8-[(6R)-6-hydroxy-1,4-diazepan-1-yl]-4-methyl-3,4,6,10-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 175084388
5-[3,5-dimethyl-4-[(4-piperazin-1-ylphenyl)methyl]piperazin-1-yl]quinoline-8-carbonitrile
CID 146320244
5-[4-methyl-8-(6-methyl-1,4-diazepan-1-yl)-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 153371975
5-[(4R,7R,8aS)-7-amino-4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 164578646
5-[(4R,10bS)-8-[(6R)-6-hydroxy-1,4-diazepan-1-yl]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 146271590
5-[(4R,7S,8aS)-4-methyl-7-[3-[(5R)-5-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 170210851
5-[(4R,10bS)-8-(2,6-diazaspiro[3.3]heptan-2-yl)-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]quinoline-8-carbonitrile
CID 155775638
5-[(9aS)-8-[2-(3-aminoazetidin-1-yl)-4-pyridinyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155708046

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile (CID 167483295) is 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)Cc2c3ccc(C4=CCNCC4)cc3nn21.
What is the InChIKey of 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile?
The InChIKey is YWFOWIMPNZGZPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N6/c1-17-15-31(24-7-5-20(14-27)26-22(24)3-2-10-29-26)16-25-21-6-4-19(13-23(21)30-32(17)25)18-8-11-28-12-9-18/h2-8,10,13,17,28H,9,11-12,15-16H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile?
5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 167483295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).