N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine

C29H22N8O2 — CID 66732070

IUPACN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine
SMILESCOc1ccccc1-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)nc2)c2ccccc12
InChIInChI=1S/C29H22N8O2/c1-38-24-11-5-4-9-22(24)26-19-7-2-3-8-20(19)27(37-36-26)34-18-12-13-25(33-17-18)39-28-21(10-6-15-31-28)23-14-16-32-29(30)35-23/h2-17H,1H3,(H,34,37)(H2,30,32,35)
InChIKeyDQTKGQSPOHTBQM-UHFFFAOYSA-N
MW514.55 g/mol
LogP5.67
Rot. Bonds7

About N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine

N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine (PubChem CID 66732070) has the molecular formula C29H22N8O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine
PubChem CID66732070
Molecular FormulaC29H22N8O2
Molecular Weight514.55 g/mol
Exact Mass514.19
IUPAC NameN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine
SMILESCOc1ccccc1-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)nc2)c2ccccc12
InChIInChI=1S/C29H22N8O2/c1-38-24-11-5-4-9-22(24)26-19-7-2-3-8-20(19)27(37-36-26)34-18-12-13-25(33-17-18)39-28-21(10-6-15-31-28)23-14-16-32-29(30)35-23/h2-17H,1H3,(H,34,37)(H2,30,32,35)
InChIKeyDQTKGQSPOHTBQM-UHFFFAOYSA-N
XLogP5.67
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine with MolForge

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Related Compounds

N-(4-((3-(2-Amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine
CID 24856041
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
N-(4-(3-(2-(Methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine
CID 46929751
4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)-pyridin-2-yloxy)phenyl)phthalazin-1-amine
CID 46929857
3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46853042
4-(2-(6-Methoxypyridin-3-ylamino)-5-(pyridazin-4-yl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548475
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386884
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386977
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387063
N2-(2-ethoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-(tetrahydro-2H-pyran-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996036
N8-cyclohexyl-N2-(2-methoxy-4-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996159
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 90000620

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine?
The IUPAC name of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine (CID 66732070) is N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine?
The canonical SMILES for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine is COc1ccccc1-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)nc2)c2ccccc12.
What is the InChIKey of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine?
The InChIKey is DQTKGQSPOHTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8O2/c1-38-24-11-5-4-9-22(24)26-19-7-2-3-8-20(19)27(37-36-26)34-18-12-13-25(33-17-18)39-28-21(10-6-15-31-28)23-14-16-32-29(30)35-23/h2-17H,1H3,(H,34,37)(H2,30,32,35).
What are the key properties of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine?
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine has a molecular weight of 514.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-methoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 66732070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).