N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide

C28H26F2N4O2 — CID 56591355

IUPACN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C28H26F2N4O2/c29-23-4-1-5-24(30)22(23)16-34-11-2-3-20(15-34)31-28(35)19-6-8-25-21(14-19)27(33-32-25)18-7-9-26-17(13-18)10-12-36-26/h1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,31,35)(H,32,33)/t20-/m1/s1
InChIKeyWIMAAAKGCHOAEE-HXUWFJFHSA-N
MW488.54 g/mol
LogP4.84
Rot. Bonds5

About N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (PubChem CID 56591355) has the molecular formula C28H26F2N4O2 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
PubChem CID56591355
Molecular FormulaC28H26F2N4O2
Molecular Weight488.54 g/mol
Exact Mass488.20
IUPAC NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C28H26F2N4O2/c29-23-4-1-5-24(30)22(23)16-34-11-2-3-20(15-34)31-28(35)19-6-8-25-21(14-19)27(33-32-25)18-7-9-26-17(13-18)10-12-36-26/h1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,31,35)(H,32,33)/t20-/m1/s1
InChIKeyWIMAAAKGCHOAEE-HXUWFJFHSA-N
XLogP4.84
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-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 N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (CID 56591355) is N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is WIMAAAKGCHOAEE-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H26F2N4O2/c29-23-4-1-5-24(30)22(23)16-34-11-2-3-20(15-34)31-28(35)19-6-8-25-21(14-19)27(33-32-25)18-7-9-26-17(13-18)10-12-36-26/h1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,31,35)(H,32,33)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).