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

C27H23N3O3 — CID 170321681

IUPAC3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C27H23N3O3/c1-30-24-16-21(31)12-13-22(24)26(29-30)23-14-15-25(32-17-19-8-4-2-5-9-19)28-27(23)33-18-20-10-6-3-7-11-20/h2-16,31H,17-18H2,1H3
InChIKeyIDQZJJWTWMJPCM-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.50
Rot. Bonds7

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

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol (PubChem CID 170321681) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol.

Molecular Properties

Compound Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
PubChem CID170321681
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C27H23N3O3/c1-30-24-16-21(31)12-13-22(24)26(29-30)23-14-15-25(32-17-19-8-4-2-5-9-19)28-27(23)33-18-20-10-6-3-7-11-20/h2-16,31H,17-18H2,1H3
InChIKeyIDQZJJWTWMJPCM-UHFFFAOYSA-N
XLogP5.50
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
CID 170321835
[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
CID 170629428
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
[(2R,4R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-methylpiperidin-4-yl]-methylcarbamic acid
CID 170313754
tert-butyl 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylate
CID 169265542
[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
CID 170313748
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carbaldehyde
CID 170433632
methyl 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carboxylate
CID 170025918
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866
tert-butyl 4-[(1R)-1-[4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 170616756
[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

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol?
The IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol (CID 170321681) is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol.
What is the SMILES notation for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol?
The canonical SMILES for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol is Cn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(O)cc21.
What is the InChIKey of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol?
The InChIKey is IDQZJJWTWMJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-30-24-16-21(31)12-13-22(24)26(29-30)23-14-15-25(32-17-19-8-4-2-5-9-19)28-27(23)33-18-20-10-6-3-7-11-20/h2-16,31H,17-18H2,1H3.
What are the key properties of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol?
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol has a molecular weight of 437.50 g/mol, XLogP of 5.50, 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-ol is sourced from PubChem (CID 170321681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).