1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C23H23ClFN5O2 — CID 86279145

IUPAC1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(Cl)c(F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C23H23ClFN5O2/c1-32-15-10-21-18(26-13-15)2-3-22(31)30(21)9-8-29-6-4-14(5-7-29)23-27-19-11-16(24)17(25)12-20(19)28-23/h2-3,10-14H,4-9H2,1H3,(H,27,28)
InChIKeyHGHJHUWNOJYVIA-UHFFFAOYSA-N
MW455.92 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 86279145) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID86279145
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC Name1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(Cl)c(F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C23H23ClFN5O2/c1-32-15-10-21-18(26-13-15)2-3-22(31)30(21)9-8-29-6-4-14(5-7-29)23-27-19-11-16(24)17(25)12-20(19)28-23/h2-3,10-14H,4-9H2,1H3,(H,27,28)
InChIKeyHGHJHUWNOJYVIA-UHFFFAOYSA-N
XLogP3.95
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 86279145) is 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(Cl)c(F)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is HGHJHUWNOJYVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c1-32-15-10-21-18(26-13-15)2-3-22(31)30(21)9-8-29-6-4-14(5-7-29)23-27-19-11-16(24)17(25)12-20(19)28-23/h2-3,10-14H,4-9H2,1H3,(H,27,28).
What are the key properties of 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 455.92 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 86279145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).