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

C25H26F3N7 — CID 118700782

IUPAC6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCF)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)
InChIKeyGZAGBRPFBCDRDL-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.13
Rot. Bonds6

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

6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 118700782) has the molecular formula C25H26F3N7 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID118700782
Molecular FormulaC25H26F3N7
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC Name6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCF)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)
InChIKeyGZAGBRPFBCDRDL-UHFFFAOYSA-N
XLogP5.13
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 118700782) is 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCF)C5)ncc3F)cc2n1C(C)C.
What is the InChIKey of 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is GZAGBRPFBCDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33).
What are the key properties of 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 481.53 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 118700782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).