N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine

C22H18N6O — CID 118235979

IUPACN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine
SMILESCc1cc2[nH]ncc2cc1Nc1nccc(Oc2ccc(N)c3ccccc23)n1
InChIInChI=1S/C22H18N6O/c1-13-10-19-14(12-25-28-19)11-18(13)26-22-24-9-8-21(27-22)29-20-7-6-17(23)15-4-2-3-5-16(15)20/h2-12H,23H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyCGKSWZZSLWZTJJ-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.93
Rot. Bonds4

About N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine

N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine (PubChem CID 118235979) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine
PubChem CID118235979
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine
SMILESCc1cc2[nH]ncc2cc1Nc1nccc(Oc2ccc(N)c3ccccc23)n1
InChIInChI=1S/C22H18N6O/c1-13-10-19-14(12-25-28-19)11-18(13)26-22-24-9-8-21(27-22)29-20-7-6-17(23)15-4-2-3-5-16(15)20/h2-12H,23H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyCGKSWZZSLWZTJJ-UHFFFAOYSA-N
XLogP4.93
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]-6-methyl-1H-indazol-5-amine?
The IUPAC name of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine (CID 118235979) is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine.
What is the SMILES notation for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine?
The canonical SMILES for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine is Cc1cc2[nH]ncc2cc1Nc1nccc(Oc2ccc(N)c3ccccc23)n1.
What is the InChIKey of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine?
The InChIKey is CGKSWZZSLWZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13-10-19-14(12-25-28-19)11-18(13)26-22-24-9-8-21(27-22)29-20-7-6-17(23)15-4-2-3-5-16(15)20/h2-12H,23H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine?
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine has a molecular weight of 382.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine is sourced from PubChem (CID 118235979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).