tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide

C117H123N17O9 — CID 158304343

IUPACtert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1.CC(C)Oc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCC[C@H]4c4ccccc4)cc23)ccn1.O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc2[nH]nc(-c3ccc4[nH]ncc4c3)c2c1.[2H]C([2H])(C)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1
InChIInChI=1S/C32H34N4O4.C30H34N4O2.C28H30N4O2.C27H25N5O/c1-32(2,3)40-31(38)36-15-13-24(20-7-5-4-6-8-20)27(19-36)33-30(37)23-9-11-26-25(18-23)29(35-34-26)22-10-12-28-21(17-22)14-16-39-28;1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3;1-18(2)34-26-17-20(14-15-29-26)27-23-16-21(12-13-25(23)31-32-27)28(33)30-24-11-7-6-10-22(24)19-8-4-3-5-9-19;33-27(29-24-9-5-4-8-21(24)17-6-2-1-3-7-17)19-11-13-25-22(15-19)26(32-31-25)18-10-12-23-20(14-18)16-28-30-23/h4-12,17-18,24,27H,13-16,19H2,1-3H3,(H,33,37)(H,34,35);5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33);3-5,8-9,12-18,22,24H,6-7,10-11H2,1-2H3,(H,30,33)(H,31,32);1-3,6-7,10-16,21,24H,4-5,8-9H2,(H,28,30)(H,29,33)(H,31,32)/t24-,27+;25-,28+;22-,24+;21-,24+/m0000/s1/i;4D2;;
InChIKeyGMWVXJLZXSXIHV-YNRRYMAMSA-N
MW1913.39 g/mol
LogP22.74
Rot. Bonds21

About tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide

tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 158304343) has the molecular formula C117H123N17O9 and a molecular weight of 1913.39 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID158304343
Molecular FormulaC117H123N17O9
Molecular Weight1913.39 g/mol
Exact Mass1911.98
IUPAC Nametert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1.CC(C)Oc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCC[C@H]4c4ccccc4)cc23)ccn1.O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc2[nH]nc(-c3ccc4[nH]ncc4c3)c2c1.[2H]C([2H])(C)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1
InChIInChI=1S/C32H34N4O4.C30H34N4O2.C28H30N4O2.C27H25N5O/c1-32(2,3)40-31(38)36-15-13-24(20-7-5-4-6-8-20)27(19-36)33-30(37)23-9-11-26-25(18-23)29(35-34-26)22-10-12-28-21(17-22)14-16-39-28;1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3;1-18(2)34-26-17-20(14-15-29-26)27-23-16-21(12-13-25(23)31-32-27)28(33)30-24-11-7-6-10-22(24)19-8-4-3-5-9-19;33-27(29-24-9-5-4-8-21(24)17-6-2-1-3-7-17)19-11-13-25-22(15-19)26(32-31-25)18-10-12-23-20(14-18)16-28-30-23/h4-12,17-18,24,27H,13-16,19H2,1-3H3,(H,33,37)(H,34,35);5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33);3-5,8-9,12-18,22,24H,6-7,10-11H2,1-2H3,(H,30,33)(H,31,32);1-3,6-7,10-16,21,24H,4-5,8-9H2,(H,28,30)(H,29,33)(H,31,32)/t24-,27+;25-,28+;22-,24+;21-,24+/m0000/s1/i;4D2;;
InChIKeyGMWVXJLZXSXIHV-YNRRYMAMSA-N
XLogP22.74
TPSA333.16 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.39
LogP ≤ 522.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
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
3-(2-methyl-4-pyridinyl)-N-[(3R)-1-[(2-propoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591379
tert-butyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 56591401
N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
CID 70652282
cyclopentyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652307
(R)-3-(2,3-dihydrobenzofuran-5-yl)-N-(1-(pyridin-2-ylmethyl)-piperidin-3-yl)-1H-indazole-5-carboxamide
CID 70652323
(1-methylcyclopropyl) 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652588
propan-2-yl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652589

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide (CID 158304343) is tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide is CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1.CC(C)Oc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCC[C@H]4c4ccccc4)cc23)ccn1.O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc2[nH]nc(-c3ccc4[nH]ncc4c3)c2c1.[2H]C([2H])(C)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1.
What is the InChIKey of tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is GMWVXJLZXSXIHV-YNRRYMAMSA-N. The full InChI is InChI=1S/C32H34N4O4.C30H34N4O2.C28H30N4O2.C27H25N5O/c1-32(2,3)40-31(38)36-15-13-24(20-7-5-4-6-8-20)27(19-36)33-30(37)23-9-11-26-25(18-23)29(35-34-26)22-10-12-28-21(17-22)14-16-39-28;1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3;1-18(2)34-26-17-20(14-15-29-26)27-23-16-21(12-13-25(23)31-32-27)28(33)30-24-11-7-6-10-22(24)19-8-4-3-5-9-19;33-27(29-24-9-5-4-8-21(24)17-6-2-1-3-7-17)19-11-13-25-22(15-19)26(32-31-25)18-10-12-23-20(14-18)16-28-30-23/h4-12,17-18,24,27H,13-16,19H2,1-3H3,(H,33,37)(H,34,35);5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33);3-5,8-9,12-18,22,24H,6-7,10-11H2,1-2H3,(H,30,33)(H,31,32);1-3,6-7,10-16,21,24H,4-5,8-9H2,(H,28,30)(H,29,33)(H,31,32)/t24-,27+;25-,28+;22-,24+;21-,24+/m0000/s1/i;4D2;;.
What are the key properties of tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide?
tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 1913.39 g/mol, XLogP of 22.74, 21 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carbonyl]amino]-4-phenylpiperidine-1-carboxylate;N-[(3S,4S)-1-(1,1-dideuterioethyl)-4-phenylpiperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide;3-(1H-indazol-5-yl)-N-[(1R,2S)-2-phenylcyclohexyl]-1H-indazole-5-carboxamide;N-[(1R,2S)-2-phenylcyclohexyl]-3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 158304343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).