3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

C27H23FN4 — CID 137308443

IUPAC3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)cc23)c1
InChIInChI=1S/C27H23FN4/c1-16-11-19(13-20(28)12-16)21-3-2-4-24-22(21)15-26(30-24)27-23-14-18(5-6-25(23)31-32-27)17-7-9-29-10-8-17/h2-7,11-15,29-30H,8-10H2,1H3,(H,31,32)
InChIKeyGWOUKNHZLDNWBZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP6.20
Rot. Bonds3

About 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (PubChem CID 137308443) has the molecular formula C27H23FN4 and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
PubChem CID137308443
Molecular FormulaC27H23FN4
Molecular Weight422.51 g/mol
Exact Mass422.19
IUPAC Name3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)cc23)c1
InChIInChI=1S/C27H23FN4/c1-16-11-19(13-20(28)12-16)21-3-2-4-24-22(21)15-26(30-24)27-23-14-18(5-6-25(23)31-32-27)17-7-9-29-10-8-17/h2-7,11-15,29-30H,8-10H2,1H3,(H,31,32)
InChIKeyGWOUKNHZLDNWBZ-UHFFFAOYSA-N
XLogP6.20
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole 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

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137308448
3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145249460
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137308433
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428
3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137088879
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137113990
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137281467
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115043
N-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137088651
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145252101

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (CID 137308443) is 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The InChIKey is GWOUKNHZLDNWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4/c1-16-11-19(13-20(28)12-16)21-3-2-4-24-22(21)15-26(30-24)27-23-14-18(5-6-25(23)31-32-27)17-7-9-29-10-8-17/h2-7,11-15,29-30H,8-10H2,1H3,(H,31,32).
What are the key properties of 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole has a molecular weight of 422.51 g/mol, XLogP of 6.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is sourced from PubChem (CID 137308443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).