N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine

C27H20N6O3 — CID 90114167

IUPACN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5cc(C)no5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C27H20N6O3/c1-16-13-24(36-33-16)25-20-5-3-4-6-21(20)27(32-31-25)30-17-7-9-18(10-8-17)35-23-11-12-28-22-14-19(34-2)15-29-26(22)23/h3-15H,1-2H3,(H,30,32)
InChIKeyRMQLMCMRLPBZAU-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.08
Rot. Bonds6

About N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine

N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine (PubChem CID 90114167) has the molecular formula C27H20N6O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine
PubChem CID90114167
Molecular FormulaC27H20N6O3
Molecular Weight476.50 g/mol
Exact Mass476.16
IUPAC NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5cc(C)no5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C27H20N6O3/c1-16-13-24(36-33-16)25-20-5-3-4-6-21(20)27(32-31-25)30-17-7-9-18(10-8-17)35-23-11-12-28-22-14-19(34-2)15-29-26(22)23/h3-15H,1-2H3,(H,30,32)
InChIKeyRMQLMCMRLPBZAU-UHFFFAOYSA-N
XLogP6.08
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine?
The IUPAC name of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine (CID 90114167) is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine?
The canonical SMILES for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(-c5cc(C)no5)c5ccccc45)cc3)ccnc2c1.
What is the InChIKey of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine?
The InChIKey is RMQLMCMRLPBZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O3/c1-16-13-24(36-33-16)25-20-5-3-4-6-21(20)27(32-31-25)30-17-7-9-18(10-8-17)35-23-11-12-28-22-14-19(34-2)15-29-26(22)23/h3-15H,1-2H3,(H,30,32).
What are the key properties of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine?
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine has a molecular weight of 476.50 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 90114167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).