3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide

C28H26FN5O2S — CID 70653093

IUPAC3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1
InChIInChI=1S/C28H26FN5O2S/c1-36-25-6-2-5-22(29)21(25)15-34-11-3-4-19(14-34)31-28(35)18-8-9-23-20(12-18)27(33-32-23)17-7-10-24-26(13-17)37-16-30-24/h2,5-10,12-13,16,19H,3-4,11,14-15H2,1H3,(H,31,35)(H,32,33)/t19-/m1/s1
InChIKeyKVVIWBKJXTXHOH-LJQANCHMSA-N
MW515.61 g/mol
LogP5.38
Rot. Bonds6

About 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide

3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 70653093) has the molecular formula C28H26FN5O2S and a molecular weight of 515.61 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID70653093
Molecular FormulaC28H26FN5O2S
Molecular Weight515.61 g/mol
Exact Mass515.18
IUPAC Name3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1
InChIInChI=1S/C28H26FN5O2S/c1-36-25-6-2-5-22(29)21(25)15-34-11-3-4-19(14-34)31-28(35)18-8-9-23-20(12-18)27(33-32-23)17-7-10-24-26(13-17)37-16-30-24/h2,5-10,12-13,16,19H,3-4,11,14-15H2,1H3,(H,31,35)(H,32,33)/t19-/m1/s1
InChIKeyKVVIWBKJXTXHOH-LJQANCHMSA-N
XLogP5.38
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide 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 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (CID 70653093) is 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1.
What is the InChIKey of 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is KVVIWBKJXTXHOH-LJQANCHMSA-N. The full InChI is InChI=1S/C28H26FN5O2S/c1-36-25-6-2-5-22(29)21(25)15-34-11-3-4-19(14-34)31-28(35)18-8-9-23-20(12-18)27(33-32-23)17-7-10-24-26(13-17)37-16-30-24/h2,5-10,12-13,16,19H,3-4,11,14-15H2,1H3,(H,31,35)(H,32,33)/t19-/m1/s1.
What are the key properties of 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 70653093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).