6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile

C21H23FN6O — CID 165381237

IUPAC6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc(C#N)c(C(C)(C)F)n3)ncc12
InChIInChI=1S/C21H23FN6O/c1-20(2,22)18-12(9-23)6-7-16(28-18)27-17-8-13-14(10-25-17)19(29-5)26-11-15(13)21(3,4)24/h6-8,10-11H,24H2,1-5H3,(H,25,27,28)
InChIKeyFMZNTYQVVUOMMB-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.05
Rot. Bonds5

About 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile

6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile (PubChem CID 165381237) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile
PubChem CID165381237
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc(C#N)c(C(C)(C)F)n3)ncc12
InChIInChI=1S/C21H23FN6O/c1-20(2,22)18-12(9-23)6-7-16(28-18)27-17-8-13-14(10-25-17)19(29-5)26-11-15(13)21(3,4)24/h6-8,10-11H,24H2,1-5H3,(H,25,27,28)
InChIKeyFMZNTYQVVUOMMB-UHFFFAOYSA-N
XLogP4.05
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile (CID 165381237) is 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile is COc1ncc(C(C)(C)N)c2cc(Nc3ccc(C#N)c(C(C)(C)F)n3)ncc12.
What is the InChIKey of 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile?
The InChIKey is FMZNTYQVVUOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-20(2,22)18-12(9-23)6-7-16(28-18)27-17-8-13-14(10-25-17)19(29-5)26-11-15(13)21(3,4)24/h6-8,10-11H,24H2,1-5H3,(H,25,27,28).
What are the key properties of 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile?
6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile has a molecular weight of 394.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-2-(2-fluoropropan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 165381237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).