4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol

C20H18N4O — CID 122531784

IUPAC4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3cn[nH]c3c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18N4O/c1-2-16-17(13-3-4-14-10-23-24-18(14)9-13)11-22-20(21)19(16)12-5-7-15(25)8-6-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyQWOJJRNXIZVDOA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.14
Rot. Bonds3

About 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol

4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol (PubChem CID 122531784) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
PubChem CID122531784
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3cn[nH]c3c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18N4O/c1-2-16-17(13-3-4-14-10-23-24-18(14)9-13)11-22-20(21)19(16)12-5-7-15(25)8-6-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyQWOJJRNXIZVDOA-UHFFFAOYSA-N
XLogP4.14
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol (CID 122531784) is 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol is CCc1c(-c2ccc3cn[nH]c3c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol?
The InChIKey is QWOJJRNXIZVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-16-17(13-3-4-14-10-23-24-18(14)9-13)11-22-20(21)19(16)12-5-7-15(25)8-6-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol?
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).