5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole

C30H29FN8O — CID 56969209

IUPAC5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)nn2)C1
InChIInChI=1S/C30H29FN8O/c1-37-15-21-13-19(8-10-26(21)35-37)30-23-14-22(9-11-27(23)32-34-30)39-18-28(33-36-39)20-5-4-12-38(16-20)17-24-25(31)6-3-7-29(24)40-2/h3,6-11,13-15,18,20H,4-5,12,16-17H2,1-2H3,(H,32,34)/t20-/m1/s1
InChIKeyYTLSQNHVBVWZBA-HXUWFJFHSA-N
MW536.62 g/mol
LogP5.22
Rot. Bonds6

About 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole

5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole (PubChem CID 56969209) has the molecular formula C30H29FN8O and a molecular weight of 536.62 g/mol. Its IUPAC name is 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole
PubChem CID56969209
Molecular FormulaC30H29FN8O
Molecular Weight536.62 g/mol
Exact Mass536.24
IUPAC Name5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)nn2)C1
InChIInChI=1S/C30H29FN8O/c1-37-15-21-13-19(8-10-26(21)35-37)30-23-14-22(9-11-27(23)32-34-30)39-18-28(33-36-39)20-5-4-12-38(16-20)17-24-25(31)6-3-7-29(24)40-2/h3,6-11,13-15,18,20H,4-5,12,16-17H2,1-2H3,(H,32,34)/t20-/m1/s1
InChIKeyYTLSQNHVBVWZBA-HXUWFJFHSA-N
XLogP5.22
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole?
The IUPAC name of 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole (CID 56969209) is 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole.
What is the SMILES notation for 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole?
The canonical SMILES for 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole is COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)nn2)C1.
What is the InChIKey of 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole?
The InChIKey is YTLSQNHVBVWZBA-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H29FN8O/c1-37-15-21-13-19(8-10-26(21)35-37)30-23-14-22(9-11-27(23)32-34-30)39-18-28(33-36-39)20-5-4-12-38(16-20)17-24-25(31)6-3-7-29(24)40-2/h3,6-11,13-15,18,20H,4-5,12,16-17H2,1-2H3,(H,32,34)/t20-/m1/s1.
What are the key properties of 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole?
5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole has a molecular weight of 536.62 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-(2-methylindazol-5-yl)-1H-indazole is sourced from PubChem (CID 56969209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).