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

C21H16N6O — CID 90005004

IUPACN-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine
SMILESNc1ccc(Oc2cc(Nc3ccc4[nH]ncc4c3)ncn2)c2ccccc12
InChIInChI=1S/C21H16N6O/c22-17-6-8-19(16-4-2-1-3-15(16)17)28-21-10-20(23-12-24-21)26-14-5-7-18-13(9-14)11-25-27-18/h1-12H,22H2,(H,25,27)(H,23,24,26)
InChIKeyPGFRHVPNFDRPKS-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.62
Rot. Bonds4

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

N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 90005004) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID90005004
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine
SMILESNc1ccc(Oc2cc(Nc3ccc4[nH]ncc4c3)ncn2)c2ccccc12
InChIInChI=1S/C21H16N6O/c22-17-6-8-19(16-4-2-1-3-15(16)17)28-21-10-20(23-12-24-21)26-14-5-7-18-13(9-14)11-25-27-18/h1-12H,22H2,(H,25,27)(H,23,24,26)
InChIKeyPGFRHVPNFDRPKS-UHFFFAOYSA-N
XLogP4.62
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 68913809
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine
CID 118235979
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
CID 90004941
N-[6-[(2S)-2-amino-3-phenylpropoxy]-2-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 117072981
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637
2-(1-bromonaphthalen-2-yl)oxy-N-(1H-indazol-5-yl)acetamide
CID 55599649
4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
CID 63691348
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
1-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-3-[4-[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73296607

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine (CID 90005004) is N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine is Nc1ccc(Oc2cc(Nc3ccc4[nH]ncc4c3)ncn2)c2ccccc12.
What is the InChIKey of N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is PGFRHVPNFDRPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c22-17-6-8-19(16-4-2-1-3-15(16)17)28-21-10-20(23-12-24-21)26-14-5-7-18-13(9-14)11-25-27-18/h1-12H,22H2,(H,25,27)(H,23,24,26).
What are the key properties of N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 368.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminonaphthalen-1-yl)oxypyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 90005004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).