4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol

C21H20N4O — CID 122531790

IUPAC4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3cn(C)nc3c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H20N4O/c1-3-17-18(14-4-5-15-12-25(2)24-19(15)10-14)11-23-21(22)20(17)13-6-8-16(26)9-7-13/h4-12,26H,3H2,1-2H3,(H2,22,23)
InChIKeyNDTDLTOCWHTJKO-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.15
Rot. Bonds3

About 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol

4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol (PubChem CID 122531790) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol
PubChem CID122531790
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3cn(C)nc3c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H20N4O/c1-3-17-18(14-4-5-15-12-25(2)24-19(15)10-14)11-23-21(22)20(17)13-6-8-16(26)9-7-13/h4-12,26H,3H2,1-2H3,(H2,22,23)
InChIKeyNDTDLTOCWHTJKO-UHFFFAOYSA-N
XLogP4.15
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol (CID 122531790) is 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol is CCc1c(-c2ccc3cn(C)nc3c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol?
The InChIKey is NDTDLTOCWHTJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-17-18(14-4-5-15-12-25(2)24-19(15)10-14)11-23-21(22)20(17)13-6-8-16(26)9-7-13/h4-12,26H,3H2,1-2H3,(H2,22,23).
What are the key properties of 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol?
4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).