bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C92H116F2N16O11 — CID 161101548

IUPACbis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(F)(F)CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CC1.O=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H36F2N4O2.C23H24N4O3.2C21H28N4O3/c1-26(28,29)18-32-8-3-19(4-9-32)12-24(34)33-10-5-27(6-11-33)15-23(27)17-31-25(35)21-13-20-2-7-30-16-22(20)14-21;28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19;2*1-20(2,3)28-19(27)24-9-6-21(7-10-24)12-16(21)13-23-18(26)15-4-5-17-22-8-11-25(17)14-15/h2,7,14,16,19,23H,3-6,8-13,15,17-18H2,1H3,(H,31,35);1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29);2*4-5,8,11,14,16H,6-7,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyUIMOFMPYDBXQCH-UHFFFAOYSA-N
MW1660.04 g/mol
LogP12.55
Rot. Bonds18

About bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 161101548) has the molecular formula C92H116F2N16O11 and a molecular weight of 1660.04 g/mol. Its IUPAC name is bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Namebis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID161101548
Molecular FormulaC92H116F2N16O11
Molecular Weight1660.04 g/mol
Exact Mass1658.90
IUPAC Namebis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(F)(F)CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CC1.O=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H36F2N4O2.C23H24N4O3.2C21H28N4O3/c1-26(28,29)18-32-8-3-19(4-9-32)12-24(34)33-10-5-27(6-11-33)15-23(27)17-31-25(35)21-13-20-2-7-30-16-22(20)14-21;28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19;2*1-20(2,3)28-19(27)24-9-6-21(7-10-24)12-16(21)13-23-18(26)15-4-5-17-22-8-11-25(17)14-15/h2,7,14,16,19,23H,3-6,8-13,15,17-18H2,1H3,(H,31,35);1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29);2*4-5,8,11,14,16H,6-7,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyUIMOFMPYDBXQCH-UHFFFAOYSA-N
XLogP12.55
TPSA305.75 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.04
LogP ≤ 512.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 161101548) is bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1ccc2nccn2c1.CC(F)(F)CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CC1.O=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UIMOFMPYDBXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N4O2.C23H24N4O3.2C21H28N4O3/c1-26(28,29)18-32-8-3-19(4-9-32)12-24(34)33-10-5-27(6-11-33)15-23(27)17-31-25(35)21-13-20-2-7-30-16-22(20)14-21;28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19;2*1-20(2,3)28-19(27)24-9-6-21(7-10-24)12-16(21)13-23-18(26)15-4-5-17-22-8-11-25(17)14-15/h2,7,14,16,19,23H,3-6,8-13,15,17-18H2,1H3,(H,31,35);1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29);2*4-5,8,11,14,16H,6-7,9-10,12-13H2,1-3H3,(H,23,26).
What are the key properties of bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1660.04 g/mol, XLogP of 12.55, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate);N-[[6-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 161101548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).