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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

C119H132N18O10 — CID 160712091

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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CN(C)CC[C@H]4c4ccccc4)cc23)cn1.CCN1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.[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.C29H33N5O2.C28H31N5O2/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;1-4-34-15-14-23(20-8-6-5-7-9-20)26(18-34)31-29(35)21-10-12-25-24(16-21)28(33-32-25)22-11-13-27(30-17-22)36-19(2)3;1-18(2)35-26-12-10-21(16-29-26)27-23-15-20(9-11-24(23)31-32-27)28(34)30-25-17-33(3)14-13-22(25)19-7-5-4-6-8-19/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);5-13,16-17,19,23,26H,4,14-15,18H2,1-3H3,(H,31,35)(H,32,33);4-12,15-16,18,22,25H,13-14,17H2,1-3H3,(H,30,34)(H,31,32)/t24-,27+;25-,28+;23-,26+;22-,25+/m0000/s1/i;4D2;;
InChIKeyRRZMKSBWABXJPC-WWAUNOJJSA-N
MW1976.49 g/mol
LogP20.96
Rot. Bonds24

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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 160712091) has the molecular formula C119H132N18O10 and a molecular weight of 1976.49 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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID160712091
Molecular FormulaC119H132N18O10
Molecular Weight1976.49 g/mol
Exact Mass1975.05
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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CN(C)CC[C@H]4c4ccccc4)cc23)cn1.CCN1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.[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.C29H33N5O2.C28H31N5O2/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;1-4-34-15-14-23(20-8-6-5-7-9-20)26(18-34)31-29(35)21-10-12-25-24(16-21)28(33-32-25)22-11-13-27(30-17-22)36-19(2)3;1-18(2)35-26-12-10-21(16-29-26)27-23-15-20(9-11-24(23)31-32-27)28(34)30-25-17-33(3)14-13-22(25)19-7-5-4-6-8-19/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);5-13,16-17,19,23,26H,4,14-15,18H2,1-3H3,(H,31,35)(H,32,33);4-12,15-16,18,22,25H,13-14,17H2,1-3H3,(H,30,34)(H,31,32)/t24-,27+;25-,28+;23-,26+;22-,25+/m0000/s1/i;4D2;;
InChIKeyRRZMKSBWABXJPC-WWAUNOJJSA-N
XLogP20.96
TPSA333.08 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.49
LogP ≤ 520.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (CID 160712091) 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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CN(C)CC[C@H]4c4ccccc4)cc23)cn1.CCN1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)C1.[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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is RRZMKSBWABXJPC-WWAUNOJJSA-N. The full InChI is InChI=1S/C32H34N4O4.C30H34N4O2.C29H33N5O2.C28H31N5O2/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;1-4-34-15-14-23(20-8-6-5-7-9-20)26(18-34)31-29(35)21-10-12-25-24(16-21)28(33-32-25)22-11-13-27(30-17-22)36-19(2)3;1-18(2)35-26-12-10-21(16-29-26)27-23-15-20(9-11-24(23)31-32-27)28(34)30-25-17-33(3)14-13-22(25)19-7-5-4-6-8-19/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);5-13,16-17,19,23,26H,4,14-15,18H2,1-3H3,(H,31,35)(H,32,33);4-12,15-16,18,22,25H,13-14,17H2,1-3H3,(H,30,34)(H,31,32)/t24-,27+;25-,28+;23-,26+;22-,25+/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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 1976.49 g/mol, XLogP of 20.96, 24 rotatable bonds, 8 hydrogen bond donors, and 19 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;N-[(3S,4S)-1-ethyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide;N-[(3S,4S)-1-methyl-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 160712091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).