5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol

C24H26FN7O — CID 165029003

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCC(C)[C@@H]1CCCN(c2ncc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1
InChIInChI=1S/C24H26FN7O/c1-14(2)15-5-4-6-32(13-15)24-27-11-20(28-29-24)23-21(33)9-17(10-26-23)16-7-18-12-31(3)30-22(18)19(25)8-16/h7-12,14-15,33H,4-6,13H2,1-3H3/t15-/m1/s1
InChIKeyOHZINPZLHDRGJO-OAHLLOKOSA-N
MW447.52 g/mol
LogP4.20
Rot. Bonds4

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol

5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol (PubChem CID 165029003) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol
PubChem CID165029003
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCC(C)[C@@H]1CCCN(c2ncc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1
InChIInChI=1S/C24H26FN7O/c1-14(2)15-5-4-6-32(13-15)24-27-11-20(28-29-24)23-21(33)9-17(10-26-23)16-7-18-12-31(3)30-22(18)19(25)8-16/h7-12,14-15,33H,4-6,13H2,1-3H3/t15-/m1/s1
InChIKeyOHZINPZLHDRGJO-OAHLLOKOSA-N
XLogP4.20
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
CID 165068279
2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol
CID 164984253
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887542
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
CID 164958526
2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride
CID 169079942
2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride
CID 155287302
5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol
CID 155287406
5-(4-fluoropyrazol-1-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 139536590
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887572
8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 174159695
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
CID 156887571

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol (CID 165029003) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol is CC(C)[C@@H]1CCCN(c2ncc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol?
The InChIKey is OHZINPZLHDRGJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-14(2)15-5-4-6-32(13-15)24-27-11-20(28-29-24)23-21(33)9-17(10-26-23)16-7-18-12-31(3)30-22(18)19(25)8-16/h7-12,14-15,33H,4-6,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol has a molecular weight of 447.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperidin-1-yl]-1,2,4-triazin-6-yl]pyridin-3-ol is sourced from PubChem (CID 165029003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).