6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole

C18H23N3O — CID 169112537

IUPAC6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole
SMILESC[C@H]1CCC(c2ccc3cn(C4CCOCC4)nc3c2)=NC1
InChIInChI=1S/C18H23N3O/c1-13-2-5-17(19-11-13)14-3-4-15-12-21(20-18(15)10-14)16-6-8-22-9-7-16/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-/m0/s1
InChIKeyKUYLENNBVZGBRY-ZDUSSCGKSA-N
MW297.40 g/mol
LogP3.61
Rot. Bonds2

About 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole

6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole (PubChem CID 169112537) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole.

Molecular Properties

Compound Name6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole
PubChem CID169112537
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole
SMILESC[C@H]1CCC(c2ccc3cn(C4CCOCC4)nc3c2)=NC1
InChIInChI=1S/C18H23N3O/c1-13-2-5-17(19-11-13)14-3-4-15-12-21(20-18(15)10-14)16-6-8-22-9-7-16/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-/m0/s1
InChIKeyKUYLENNBVZGBRY-ZDUSSCGKSA-N
XLogP3.61
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
CID 169112756
2-(1-methylpyrrolidin-3-yl)-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
CID 170056037
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
CID 169112657
(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 176910052
tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112231
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737
1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol
CID 169114291
2-cyclobutylindazol-6-amine
CID 90309050
2-cyclopentyl-6-propan-2-ylindazole
CID 158645182
N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
CID 171755952

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole?
The IUPAC name of 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole (CID 169112537) is 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole.
What is the SMILES notation for 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole?
The canonical SMILES for 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole is C[C@H]1CCC(c2ccc3cn(C4CCOCC4)nc3c2)=NC1.
What is the InChIKey of 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole?
The InChIKey is KUYLENNBVZGBRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-2-5-17(19-11-13)14-3-4-15-12-21(20-18(15)10-14)16-6-8-22-9-7-16/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole?
6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole has a molecular weight of 297.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole is sourced from PubChem (CID 169112537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).