tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C156H164N24O32 — CID 159698174

About tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 159698174) has the molecular formula C156H164N24O32 and a molecular weight of 2887.16 g/mol. Its IUPAC name is tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• PubChem CID: 159698174
• Molecular Formula: C156H164N24O32
• Molecular Weight: 2887.16 g/mol
• Exact Mass: 2885.19
• IUPAC Name: tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• SMILES: CC(C)(C)OC(=O)N1CCOc2ccc(CCO)nc21.CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1
• InChI: InChI=1S/5C26H26N4O5.C14H20N2O4.C12H14N2O3/c5*1-33-25-9-4-17(15-27-25)23(14-26(31)32)30-22-7-6-20(13-18(22)16-28-30)34-12-10-19-5-8-24-21(29-19)3-2-11-35-24;1-14(2,3)20-13(18)16-7-9-19-11-5-4-10(6-8-17)15-12(11)16;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14/h5*4-9,13,15-16,23H,2-3,10-12,14H2,1H3,(H,31,32);4-5,17H,6-9H2,1-3H3;4-7,15H,1-3H3/t4*23-;;;/m1100.../s1
• InChIKey: MXGYQHDUOHBNQI-IABXQKJVSA-N
• XLogP: 23.50
• TPSA: 679.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 47
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2887.16
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The IUPAC name of tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 159698174) is tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

What is the SMILES notation for tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The canonical SMILES for tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is CC(C)(C)OC(=O)N1CCOc2ccc(CCO)nc21.CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCO5)ccc32)cn1.

What is the InChIKey of tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The InChIKey is MXGYQHDUOHBNQI-IABXQKJVSA-N. The full InChI is InChI=1S/5C26H26N4O5.C14H20N2O4.C12H14N2O3/c5*1-33-25-9-4-17(15-27-25)23(14-26(31)32)30-22-7-6-20(13-18(22)16-28-30)34-12-10-19-5-8-24-21(29-19)3-2-11-35-24;1-14(2,3)20-13(18)16-7-9-19-11-5-4-10(6-8-17)15-12(11)16;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14/h5*4-9,13,15-16,23H,2-3,10-12,14H2,1H3,(H,31,32);4-5,17H,6-9H2,1-3H3;4-7,15H,1-3H3/t4*23-;;;/m1100.../s1.

What are the key properties of tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 2887.16 g/mol, XLogP of 23.50, 47 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-(2-hydroxyethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate;tert-butyl 5-hydroxyindazole-1-carboxylate;bis((3R)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 159698174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).