5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile

C20H22FN7O — CID 165381243

IUPAC5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile
SMILESCC[C@@H](F)c1nc(Nc2cc3c(C(C)(C)N)cnc(OC)c3cn2)cnc1C#N
InChIInChI=1S/C20H22FN7O/c1-5-14(21)18-15(7-22)24-10-17(28-18)27-16-6-11-12(8-25-16)19(29-4)26-9-13(11)20(2,3)23/h6,8-10,14H,5,23H2,1-4H3,(H,25,27,28)/t14-/m1/s1
InChIKeyWXFARPYHKCECHH-CQSZACIVSA-N
MW395.44 g/mol
LogP3.66
Rot. Bonds6

About 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile

5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile (PubChem CID 165381243) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile
PubChem CID165381243
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile
SMILESCC[C@@H](F)c1nc(Nc2cc3c(C(C)(C)N)cnc(OC)c3cn2)cnc1C#N
InChIInChI=1S/C20H22FN7O/c1-5-14(21)18-15(7-22)24-10-17(28-18)27-16-6-11-12(8-25-16)19(29-4)26-9-13(11)20(2,3)23/h6,8-10,14H,5,23H2,1-4H3,(H,25,27,28)/t14-/m1/s1
InChIKeyWXFARPYHKCECHH-CQSZACIVSA-N
XLogP3.66
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile (CID 165381243) is 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile is CC[C@@H](F)c1nc(Nc2cc3c(C(C)(C)N)cnc(OC)c3cn2)cnc1C#N.
What is the InChIKey of 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile?
The InChIKey is WXFARPYHKCECHH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-5-14(21)18-15(7-22)24-10-17(28-18)27-16-6-11-12(8-25-16)19(29-4)26-9-13(11)20(2,3)23/h6,8-10,14H,5,23H2,1-4H3,(H,25,27,28)/t14-/m1/s1.
What are the key properties of 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile?
5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile has a molecular weight of 395.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-3-[(1R)-1-fluoropropyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 165381243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).