2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

C25H27F2N7O — CID 118693648

IUPAC2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H27F2N7O/c1-14(2)34-15(3)29-24-18(26)10-17(11-21(24)34)23-19(27)12-28-25(32-23)31-22-5-4-16-13-33(8-9-35)7-6-20(16)30-22/h4-5,10-12,14,35H,6-9,13H2,1-3H3,(H,28,30,31,32)
InChIKeyZAPGHPQYYDYEQW-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.15
Rot. Bonds6

About 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (PubChem CID 118693648) has the molecular formula C25H27F2N7O and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
PubChem CID118693648
Molecular FormulaC25H27F2N7O
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H27F2N7O/c1-14(2)34-15(3)29-24-18(26)10-17(11-21(24)34)23-19(27)12-28-25(32-23)31-22-5-4-16-13-33(8-9-35)7-6-20(16)30-22/h4-5,10-12,14,35H,6-9,13H2,1-3H3,(H,28,30,31,32)
InChIKeyZAPGHPQYYDYEQW-UHFFFAOYSA-N
XLogP4.15
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The IUPAC name of 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (CID 118693648) is 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.
What is the SMILES notation for 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The canonical SMILES for 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCO)C5)ncc3F)cc2n1C(C)C.
What is the InChIKey of 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The InChIKey is ZAPGHPQYYDYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O/c1-14(2)34-15(3)29-24-18(26)10-17(11-21(24)34)23-19(27)12-28-25(32-23)31-22-5-4-16-13-33(8-9-35)7-6-20(16)30-22/h4-5,10-12,14,35H,6-9,13H2,1-3H3,(H,28,30,31,32).
What are the key properties of 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol has a molecular weight of 479.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is sourced from PubChem (CID 118693648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).