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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane

C155H169N29O32 — CID 160691760

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane (PubChem CID 160691760) has the molecular formula C155H169N29O32 and a molecular weight of 2950.23 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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane.

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane
• PubChem CID: 160691760
• Molecular Formula: C155H169N29O32
• Molecular Weight: 2950.23 g/mol
• Exact Mass: 2948.25
• 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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane
• SMILES: CC(C)(C)OC(=O)N1CCOc2ccc(CCO)nc21.CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CC(C)C.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1
• InChI: InChI=1S/5C25H25N5O5.C14H20N2O4.C12H14N2O3.C4H10/c5*1-33-23-7-2-16(14-27-23)21(13-24(31)32)30-20-5-4-19(12-17(20)15-28-30)34-10-8-18-3-6-22-25(29-18)26-9-11-35-22;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;1-4(2)3/h5*2-7,12,14-15,21H,8-11,13H2,1H3,(H,26,29)(H,31,32);4-5,17H,6-9H2,1-3H3;4-7,15H,1-3H3;4H,1-3H3/t4*21-;;;;/m1100..../s1
• InChIKey: RPMNGWLCAUJQQG-STKJLIAFSA-N
• XLogP: 22.56
• TPSA: 739.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 55
• Rotatable Bonds: 47
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2950.23
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	55

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane?

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane (CID 160691760) 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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane.

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane?

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane is CC(C)(C)OC(=O)N1CCOc2ccc(CCO)nc21.CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CC(C)C.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)ccc32)cn1.COc1ccc([C@H](CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCO5)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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane?

The InChIKey is RPMNGWLCAUJQQG-STKJLIAFSA-N. The full InChI is InChI=1S/5C25H25N5O5.C14H20N2O4.C12H14N2O3.C4H10/c5*1-33-23-7-2-16(14-27-23)21(13-24(31)32)30-20-5-4-19(12-17(20)15-28-30)34-10-8-18-3-6-22-25(29-18)26-9-11-35-22;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;1-4(2)3/h5*2-7,12,14-15,21H,8-11,13H2,1H3,(H,26,29)(H,31,32);4-5,17H,6-9H2,1-3H3;4-7,15H,1-3H3;4H,1-3H3/t4*21-;;;;/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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane?

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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane has a molecular weight of 2950.23 g/mol, XLogP of 22.56, 47 rotatable bonds, 12 hydrogen bond donors, and 55 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-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);bis((3S)-3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid);3-[5-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]indazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;2-methylpropane is sourced from PubChem (CID 160691760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).