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

C24H32N8O — CID 146645966

IUPAC3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(CO)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N
InChIInChI=1S/C24H32N8O/c1-3-18-11-16(12-19(4-2)32(18)10-6-8-25)27-24-20-7-5-9-26-21(20)14-22(29-24)28-23-13-17(15-33)30-31-23/h5,7,9,13-14,16,18-19,33H,3-4,6,10-12,15H2,1-2H3,(H3,27,28,29,30,31)
InChIKeyWBBGISRQBLGNQH-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.94
Rot. Bonds9

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

3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146645966) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID146645966
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(CO)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N
InChIInChI=1S/C24H32N8O/c1-3-18-11-16(12-19(4-2)32(18)10-6-8-25)27-24-20-7-5-9-26-21(20)14-22(29-24)28-23-13-17(15-33)30-31-23/h5,7,9,13-14,16,18-19,33H,3-4,6,10-12,15H2,1-2H3,(H3,27,28,29,30,31)
InChIKeyWBBGISRQBLGNQH-UHFFFAOYSA-N
XLogP3.94
TPSA125.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 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) is 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-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-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is CCC1CC(Nc2nc(Nc3cc(CO)[nH]n3)cc3ncccc23)CC(CC)N1CCC#N.
What is the InChIKey of 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is WBBGISRQBLGNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-3-18-11-16(12-19(4-2)32(18)10-6-8-25)27-24-20-7-5-9-26-21(20)14-22(29-24)28-23-13-17(15-33)30-31-23/h5,7,9,13-14,16,18-19,33H,3-4,6,10-12,15H2,1-2H3,(H3,27,28,29,30,31).
What are the key properties of 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?
3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 448.58 g/mol, XLogP of 3.94, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146645966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).