3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile

C25H34N8 — CID 146645809

IUPAC3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(N(C)c2nc(Nc3cc(C)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N
InChIInChI=1S/C25H34N8/c1-5-18-14-20(15-19(6-2)33(18)12-8-10-26)32(4)25-21-9-7-11-27-22(21)16-23(29-25)28-24-13-17(3)30-31-24/h7,9,11,13,16,18-20H,5-6,8,12,14-15H2,1-4H3,(H2,28,29,30,31)
InChIKeyMTKKUUMFEMUSEQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.78
Rot. Bonds8

About 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile

3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146645809) has the molecular formula C25H34N8 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID146645809
Molecular FormulaC25H34N8
Molecular Weight446.60 g/mol
Exact Mass446.29
IUPAC Name3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(N(C)c2nc(Nc3cc(C)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N
InChIInChI=1S/C25H34N8/c1-5-18-14-20(15-19(6-2)33(18)12-8-10-26)32(4)25-21-9-7-11-27-22(21)16-23(29-25)28-24-13-17(3)30-31-24/h7,9,11,13,16,18-20H,5-6,8,12,14-15H2,1-4H3,(H2,28,29,30,31)
InChIKeyMTKKUUMFEMUSEQ-UHFFFAOYSA-N
XLogP4.78
TPSA96.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645966
3-[(5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]methyl]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 167341953
3-[(1R,5S)-3-[hydroxy-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]methyl]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645076
3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645979
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
CID 146645967
3-[3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]azetidin-1-yl]propanenitrile
CID 146645218
3-[2,6-diethyl-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]quinoxalin-5-yl]piperazin-1-yl]propanenitrile
CID 146645303
3-[2,6-diethyl-4-[[7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 146645723
3-[(1S,5R)-3-[[8-methoxy-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propanenitrile
CID 146645169
3-[2,6-diethyl-4-[[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 166773948
3-[(1R,5S)-3-[[7-(1H-indazol-3-ylamino)-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644770

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile (CID 146645809) is 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is CCC1CC(N(C)c2nc(Nc3cc(C)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N.
What is the InChIKey of 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is MTKKUUMFEMUSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8/c1-5-18-14-20(15-19(6-2)33(18)12-8-10-26)32(4)25-21-9-7-11-27-22(21)16-23(29-25)28-24-13-17(3)30-31-24/h7,9,11,13,16,18-20H,5-6,8,12,14-15H2,1-4H3,(H2,28,29,30,31).
What are the key properties of 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 446.60 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146645809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).