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

C25H25F2N7O2 — CID 118700781

IUPAC1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone
SMILESCc1nc2c(F)cc(-c3nc(Nc4cc5c(cn4)CCN(C(=O)CO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H25F2N7O2/c1-13(2)34-14(3)30-24-18(26)6-16(7-20(24)34)23-19(27)10-29-25(32-23)31-21-8-17-11-33(22(36)12-35)5-4-15(17)9-28-21/h6-10,13,35H,4-5,11-12H2,1-3H3,(H,28,29,31,32)
InChIKeyJULFQAJHECKHCQ-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.68
Rot. Bonds5

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

1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone (PubChem CID 118700781) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone
PubChem CID118700781
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone
SMILESCc1nc2c(F)cc(-c3nc(Nc4cc5c(cn4)CCN(C(=O)CO)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C25H25F2N7O2/c1-13(2)34-14(3)30-24-18(26)6-16(7-20(24)34)23-19(27)10-29-25(32-23)31-21-8-17-11-33(22(36)12-35)5-4-15(17)9-28-21/h6-10,13,35H,4-5,11-12H2,1-3H3,(H,28,29,31,32)
InChIKeyJULFQAJHECKHCQ-UHFFFAOYSA-N
XLogP3.68
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone (CID 118700781) is 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone is Cc1nc2c(F)cc(-c3nc(Nc4cc5c(cn4)CCN(C(=O)CO)C5)ncc3F)cc2n1C(C)C.
What is the InChIKey of 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone?
The InChIKey is JULFQAJHECKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-13(2)34-14(3)30-24-18(26)6-16(7-20(24)34)23-19(27)10-29-25(32-23)31-21-8-17-11-33(22(36)12-35)5-4-15(17)9-28-21/h6-10,13,35H,4-5,11-12H2,1-3H3,(H,28,29,31,32).
What are the key properties of 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone?
1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone has a molecular weight of 493.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 118700781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).