3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide

C25H25N5O2S — CID 56591354

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C25H25N5O2S/c31-25(27-19-2-1-9-30(14-19)15-23-26-8-11-33-23)18-3-5-21-20(13-18)24(29-28-21)17-4-6-22-16(12-17)7-10-32-22/h3-6,8,11-13,19H,1-2,7,9-10,14-15H2,(H,27,31)(H,28,29)/t19-/m1/s1
InChIKeyHFYKCEWTIFDGPU-LJQANCHMSA-N
MW459.58 g/mol
LogP4.02
Rot. Bonds5

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 56591354) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID56591354
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C25H25N5O2S/c31-25(27-19-2-1-9-30(14-19)15-23-26-8-11-33-23)18-3-5-21-20(13-18)24(29-28-21)17-4-6-22-16(12-17)7-10-32-22/h3-6,8,11-13,19H,1-2,7,9-10,14-15H2,(H,27,31)(H,28,29)/t19-/m1/s1
InChIKeyHFYKCEWTIFDGPU-LJQANCHMSA-N
XLogP4.02
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(dimethylamino)propyl)chroman-6-carboxamide
CID 45375859
3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)chroman-6-carboxamide
CID 46879762
N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
N-[cyclobutyl(thiophen-3-yl)methyl]-3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 117737852
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
CID 56591178
N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
CID 56591202
3-(1,3-benzothiazol-2-yl)-N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591267
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591353
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591376
N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
CID 70652203
(R)-3-(2,3-dihydrobenzofuran-5-yl)-N-(1-(pyridin-2-ylmethyl)-piperidin-3-yl)-1H-indazole-5-carboxamide
CID 70652323
3-(1,3-benzothiazol-2-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 70653001

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (CID 56591354) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2nccs2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is HFYKCEWTIFDGPU-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O2S/c31-25(27-19-2-1-9-30(14-19)15-23-26-8-11-33-23)18-3-5-21-20(13-18)24(29-28-21)17-4-6-22-16(12-17)7-10-32-22/h3-6,8,11-13,19H,1-2,7,9-10,14-15H2,(H,27,31)(H,28,29)/t19-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).