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

C21H20N4O — CID 122531783

IUPAC4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C21H20N4O/c1-3-16-18(13-4-7-15(26)8-5-13)11-23-21(22)20(16)14-6-9-19-17(10-14)12(2)24-25-19/h4-11,26H,3H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyBUINPKKPZNJRSS-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.45
Rot. Bonds3

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

4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol (PubChem CID 122531783) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol
PubChem CID122531783
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C21H20N4O/c1-3-16-18(13-4-7-15(26)8-5-13)11-23-21(22)20(16)14-6-9-19-17(10-14)12(2)24-25-19/h4-11,26H,3H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyBUINPKKPZNJRSS-UHFFFAOYSA-N
XLogP4.45
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol?
The IUPAC name of 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol (CID 122531783) is 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol is CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2n[nH]c(C)c2c1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol?
The InChIKey is BUINPKKPZNJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-16-18(13-4-7-15(26)8-5-13)11-23-21(22)20(16)14-6-9-19-17(10-14)12(2)24-25-19/h4-11,26H,3H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol?
4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).