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

C28H29FN4O2 — CID 70652256

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC2=C(F)CCC=C2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C28H29FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1,4,7-10,14-15,22H,2-3,5-6,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/m1/s1
InChIKeyRKFHHRVLDSDTGM-JOCHJYFZSA-N
MW472.56 g/mol
LogP4.93
Rot. Bonds5

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 70652256) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID70652256
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC2=C(F)CCC=C2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C28H29FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1,4,7-10,14-15,22H,2-3,5-6,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/m1/s1
InChIKeyRKFHHRVLDSDTGM-JOCHJYFZSA-N
XLogP4.93
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[(1r)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-1h-Indazole-5-Carboxamide
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N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[(3-methyl-2H-indazol-4-yl)oxy]propan-1-one
CID 45487308
5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 71715678
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
N-[cyclopropyl(phenyl)methyl]-3-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxyphenyl]-1H-indazole-5-carboxamide
CID 89509786
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
N-[cyclopropyl(phenyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 89971933

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (CID 70652256) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@@H]1CCCN(CC2=C(F)CCC=C2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is RKFHHRVLDSDTGM-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1,4,7-10,14-15,22H,2-3,5-6,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).