N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine

C28H26N6O2 — CID 90114336

IUPACN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(N5CCCCC5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C28H26N6O2/c1-35-21-17-24-26(30-18-21)25(13-14-29-24)36-20-11-9-19(10-12-20)31-27-22-7-3-4-8-23(22)28(33-32-27)34-15-5-2-6-16-34/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,31,32)
InChIKeyFEDUKYPOQXUAEH-UHFFFAOYSA-N
MW478.56 g/mol
LogP6.11
Rot. Bonds6

About N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine

N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine (PubChem CID 90114336) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine
PubChem CID90114336
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(N5CCCCC5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C28H26N6O2/c1-35-21-17-24-26(30-18-21)25(13-14-29-24)36-20-11-9-19(10-12-20)31-27-22-7-3-4-8-23(22)28(33-32-27)34-15-5-2-6-16-34/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,31,32)
InChIKeyFEDUKYPOQXUAEH-UHFFFAOYSA-N
XLogP6.11
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine?
The IUPAC name of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine (CID 90114336) is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine.
What is the SMILES notation for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine?
The canonical SMILES for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(N5CCCCC5)c5ccccc45)cc3)ccnc2c1.
What is the InChIKey of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine?
The InChIKey is FEDUKYPOQXUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-35-21-17-24-26(30-18-21)25(13-14-29-24)36-20-11-9-19(10-12-20)31-27-22-7-3-4-8-23(22)28(33-32-27)34-15-5-2-6-16-34/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,31,32).
What are the key properties of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine?
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine has a molecular weight of 478.56 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine is sourced from PubChem (CID 90114336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).