ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile

C22H18F3N7 — CID 143215429

IUPACethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile
SMILESCC.Cc1cc(C#N)cnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1
InChIInChI=1S/C20H12F3N7.C2H6/c1-11-6-12(7-24)8-26-17(11)16-3-2-14-15(4-5-25-18(14)29-16)30-19-27-9-13(10-28-19)20(21,22)23;1-2/h2-6,8-10H,1H3,(H,25,27,28,29,30);1-2H3
InChIKeyMREFVBKOUSASHP-UHFFFAOYSA-N
MW437.43 g/mol
LogP5.45
Rot. Bonds3

About ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile

ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile (PubChem CID 143215429) has the molecular formula C22H18F3N7 and a molecular weight of 437.43 g/mol. Its IUPAC name is ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile
PubChem CID143215429
Molecular FormulaC22H18F3N7
Molecular Weight437.43 g/mol
Exact Mass437.16
IUPAC Nameethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile
SMILESCC.Cc1cc(C#N)cnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1
InChIInChI=1S/C20H12F3N7.C2H6/c1-11-6-12(7-24)8-26-17(11)16-3-2-14-15(4-5-25-18(14)29-16)30-19-27-9-13(10-28-19)20(21,22)23;1-2/h2-6,8-10H,1H3,(H,25,27,28,29,30);1-2H3
InChIKeyMREFVBKOUSASHP-UHFFFAOYSA-N
XLogP5.45
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile (CID 143215429) is ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile is CC.Cc1cc(C#N)cnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1.
What is the InChIKey of ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile?
The InChIKey is MREFVBKOUSASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7.C2H6/c1-11-6-12(7-24)8-26-17(11)16-3-2-14-15(4-5-25-18(14)29-16)30-19-27-9-13(10-28-19)20(21,22)23;1-2/h2-6,8-10H,1H3,(H,25,27,28,29,30);1-2H3.
What are the key properties of ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile?
ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile has a molecular weight of 437.43 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 143215429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).