3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine

C27H24N4O2 — CID 170321835

IUPAC3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C27H24N4O2/c1-31-24-16-21(28)12-13-22(24)26(30-31)23-14-15-25(32-17-19-8-4-2-5-9-19)29-27(23)33-18-20-10-6-3-7-11-20/h2-16H,17-18,28H2,1H3
InChIKeyJZEFMUOMZTUMKX-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.38
Rot. Bonds7

About 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine (PubChem CID 170321835) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine.

Molecular Properties

Compound Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
PubChem CID170321835
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C27H24N4O2/c1-31-24-16-21(28)12-13-22(24)26(30-31)23-14-15-25(32-17-19-8-4-2-5-9-19)29-27(23)33-18-20-10-6-3-7-11-20/h2-16H,17-18,28H2,1H3
InChIKeyJZEFMUOMZTUMKX-UHFFFAOYSA-N
XLogP5.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
CID 170321681
[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
CID 170629428
[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
CID 170313748
4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid
CID 170313756
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-6-bromo-7-fluoro-1-methylindazole
CID 170322126
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carbaldehyde
CID 170433632
tert-butyl 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylate
CID 169265542
[(2R,4R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-methylpiperidin-4-yl]-methylcarbamic acid
CID 170313754
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-7-(4-bromo-2-methylphenyl)-1-methylindazole
CID 177364507
methyl 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carboxylate
CID 170025918
[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-6-bromo-5-tert-butyl-1-methylindazol-4-yl] N-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]carbamate
CID 169265797
CID 177198275
CID 177198275

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine?
The IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine (CID 170321835) is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine.
What is the SMILES notation for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine?
The canonical SMILES for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine is Cn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N)cc21.
What is the InChIKey of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine?
The InChIKey is JZEFMUOMZTUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-31-24-16-21(28)12-13-22(24)26(30-31)23-14-15-25(32-17-19-8-4-2-5-9-19)29-27(23)33-18-20-10-6-3-7-11-20/h2-16H,17-18,28H2,1H3.
What are the key properties of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine?
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine has a molecular weight of 436.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine is sourced from PubChem (CID 170321835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).