3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol

C18H17N3O — CID 164621474

IUPAC3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2cc(C3=CCNCC3)c3cn[nH]c3c2)c1
InChIInChI=1S/C18H17N3O/c22-15-3-1-2-13(8-15)14-9-16(12-4-6-19-7-5-12)17-11-20-21-18(17)10-14/h1-4,8-11,19,22H,5-7H2,(H,20,21)
InChIKeyZHBYBJHKRRZTKQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.31
Rot. Bonds2

About 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol

3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol (PubChem CID 164621474) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
PubChem CID164621474
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2cc(C3=CCNCC3)c3cn[nH]c3c2)c1
InChIInChI=1S/C18H17N3O/c22-15-3-1-2-13(8-15)14-9-16(12-4-6-19-7-5-12)17-11-20-21-18(17)10-14/h1-4,8-11,19,22H,5-7H2,(H,20,21)
InChIKeyZHBYBJHKRRZTKQ-UHFFFAOYSA-N
XLogP3.31
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol?
The IUPAC name of 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol (CID 164621474) is 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol is Oc1cccc(-c2cc(C3=CCNCC3)c3cn[nH]c3c2)c1.
What is the InChIKey of 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol?
The InChIKey is ZHBYBJHKRRZTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-15-3-1-2-13(8-15)14-9-16(12-4-6-19-7-5-12)17-11-20-21-18(17)10-14/h1-4,8-11,19,22H,5-7H2,(H,20,21).
What are the key properties of 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol?
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 164621474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).