1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

C25H23F2N7O2 — CID 129102641

IUPAC1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)CCCC6)n3)ccc2C1
InChIInChI=1S/C25H23F2N7O2/c26-16-9-15(10-19-24(16)31-21-3-1-2-7-34(19)21)23-17(27)11-28-25(32-23)30-20-5-4-14-12-33(22(36)13-35)8-6-18(14)29-20/h4-5,9-11,35H,1-3,6-8,12-13H2,(H,28,29,30,32)
InChIKeyRTZOSVCJYPXURN-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (PubChem CID 129102641) has the molecular formula C25H23F2N7O2 and a molecular weight of 491.50 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
PubChem CID129102641
Molecular FormulaC25H23F2N7O2
Molecular Weight491.50 g/mol
Exact Mass491.19
IUPAC Name1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)CCCC6)n3)ccc2C1
InChIInChI=1S/C25H23F2N7O2/c26-16-9-15(10-19-24(16)31-21-3-1-2-7-34(19)21)23-17(27)11-28-25(32-23)30-20-5-4-14-12-33(22(36)13-35)8-6-18(14)29-20/h4-5,9-11,35H,1-3,6-8,12-13H2,(H,28,29,30,32)
InChIKeyRTZOSVCJYPXURN-UHFFFAOYSA-N
XLogP3.12
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (CID 129102641) is 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is O=C(CO)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)CCCC6)n3)ccc2C1.
What is the InChIKey of 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?
The InChIKey is RTZOSVCJYPXURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O2/c26-16-9-15(10-19-24(16)31-21-3-1-2-7-34(19)21)23-17(27)11-28-25(32-23)30-20-5-4-14-12-33(22(36)13-35)8-6-18(14)29-20/h4-5,9-11,35H,1-3,6-8,12-13H2,(H,28,29,30,32).
What are the key properties of 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?
1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone has a molecular weight of 491.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is sourced from PubChem (CID 129102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).