7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline

C24H20FN7 — CID 170648971

IUPAC7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6cccnc6F)cc45)nn3)cc21
InChIInChI=1S/C24H20FN7/c1-14-19-12-17(6-4-15(19)8-10-26-14)32-13-22(29-31-32)23-20-11-16(5-7-21(20)28-30-23)18-3-2-9-27-24(18)25/h2-7,9,11-14,26H,8,10H2,1H3,(H,28,30)
InChIKeyKZIDWKFKGQWGHS-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.22
Rot. Bonds3

About 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 170648971) has the molecular formula C24H20FN7 and a molecular weight of 425.47 g/mol. Its IUPAC name is 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID170648971
Molecular FormulaC24H20FN7
Molecular Weight425.47 g/mol
Exact Mass425.18
IUPAC Name7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6cccnc6F)cc45)nn3)cc21
InChIInChI=1S/C24H20FN7/c1-14-19-12-17(6-4-15(19)8-10-26-14)32-13-22(29-31-32)23-20-11-16(5-7-21(20)28-30-23)18-3-2-9-27-24(18)25/h2-7,9,11-14,26H,8,10H2,1H3,(H,28,30)
InChIKeyKZIDWKFKGQWGHS-UHFFFAOYSA-N
XLogP4.22
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Camizestrant
CID 134453496
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
CID 134453448
[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-(isoquinolin-5-yl)pyridine-3,5-diamine
CID 10173098
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
N-[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11467108
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736

Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 170648971) is 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6cccnc6F)cc45)nn3)cc21.
What is the InChIKey of 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KZIDWKFKGQWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7/c1-14-19-12-17(6-4-15(19)8-10-26-14)32-13-22(29-31-32)23-20-11-16(5-7-21(20)28-30-23)18-3-2-9-27-24(18)25/h2-7,9,11-14,26H,8,10H2,1H3,(H,28,30).
What are the key properties of 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline?
7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 425.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 170648971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).