(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol

C16H17N3O2 — CID 103129138

IUPAC(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
SMILESCCOc1cncc(C(O)c2nn(C)c3ccccc23)c1
InChIInChI=1S/C16H17N3O2/c1-3-21-12-8-11(9-17-10-12)16(20)15-13-6-4-5-7-14(13)19(2)18-15/h4-10,16,20H,3H2,1-2H3
InChIKeyQRDGHIGZMSWKSV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol

(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol (PubChem CID 103129138) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
PubChem CID103129138
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
SMILESCCOc1cncc(C(O)c2nn(C)c3ccccc23)c1
InChIInChI=1S/C16H17N3O2/c1-3-21-12-8-11(9-17-10-12)16(20)15-13-6-4-5-7-14(13)19(2)18-15/h4-10,16,20H,3H2,1-2H3
InChIKeyQRDGHIGZMSWKSV-UHFFFAOYSA-N
XLogP2.45
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methanol
CID 83091118
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
[(1-methylindazol-3-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 103129872
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol (CID 103129138) is (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol is CCOc1cncc(C(O)c2nn(C)c3ccccc23)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol?
The InChIKey is QRDGHIGZMSWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-12-8-11(9-17-10-12)16(20)15-13-6-4-5-7-14(13)19(2)18-15/h4-10,16,20H,3H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol?
(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol has a molecular weight of 283.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol is sourced from PubChem (CID 103129138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).