N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine

C27H27N7O3 — CID 90004998

IUPACN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(OCCN5CCOCC5)c4c3)n2)c2ccccc12
InChIInChI=1S/C27H27N7O3/c28-22-6-8-24(20-4-2-1-3-19(20)22)37-25-9-10-29-27(31-25)30-18-5-7-23-21(17-18)26(33-32-23)36-16-13-34-11-14-35-15-12-34/h1-10,17H,11-16,28H2,(H,32,33)(H,29,30,31)
InChIKeyIQPCFOFEPUPTJZ-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.34
Rot. Bonds8

About N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine

N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine (PubChem CID 90004998) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine
PubChem CID90004998
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(OCCN5CCOCC5)c4c3)n2)c2ccccc12
InChIInChI=1S/C27H27N7O3/c28-22-6-8-24(20-4-2-1-3-19(20)22)37-25-9-10-29-27(31-25)30-18-5-7-23-21(17-18)26(33-32-23)36-16-13-34-11-14-35-15-12-34/h1-10,17H,11-16,28H2,(H,32,33)(H,29,30,31)
InChIKeyIQPCFOFEPUPTJZ-UHFFFAOYSA-N
XLogP4.34
TPSA123.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine?
The IUPAC name of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine (CID 90004998) is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine.
What is the SMILES notation for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine?
The canonical SMILES for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine is Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(OCCN5CCOCC5)c4c3)n2)c2ccccc12.
What is the InChIKey of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine?
The InChIKey is IQPCFOFEPUPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c28-22-6-8-24(20-4-2-1-3-19(20)22)37-25-9-10-29-27(31-25)30-18-5-7-23-21(17-18)26(33-32-23)36-16-13-34-11-14-35-15-12-34/h1-10,17H,11-16,28H2,(H,32,33)(H,29,30,31).
What are the key properties of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine?
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine has a molecular weight of 497.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine is sourced from PubChem (CID 90004998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).