lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

C51H58LiN11O5 — CID 159226192

IUPAClithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1.Cc1nc(N2CCC3(CC3)C2)ccc1Cn1cc(C(=O)[O-])cn1.[Li+]
InChIInChI=1S/C34H39N7O3.C17H20N4O2.Li/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3;1-12-13(9-21-10-14(8-18-21)16(22)23)2-3-15(19-12)20-7-6-17(11-20)4-5-17;/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42);2-3,8,10H,4-7,9,11H2,1H3,(H,22,23);/q;;+1/p-1/t29-;;/m1../s1
InChIKeyVIDXZUIWHLDRRN-SYXKTQFYSA-M
MW912.04 g/mol
LogP3.06
Rot. Bonds14

About lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 159226192) has the molecular formula C51H58LiN11O5 and a molecular weight of 912.04 g/mol. Its IUPAC name is lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namelithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID159226192
Molecular FormulaC51H58LiN11O5
Molecular Weight912.04 g/mol
Exact Mass911.48
IUPAC Namelithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1.Cc1nc(N2CCC3(CC3)C2)ccc1Cn1cc(C(=O)[O-])cn1.[Li+]
InChIInChI=1S/C34H39N7O3.C17H20N4O2.Li/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3;1-12-13(9-21-10-14(8-18-21)16(22)23)2-3-15(19-12)20-7-6-17(11-20)4-5-17;/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42);2-3,8,10H,4-7,9,11H2,1H3,(H,22,23);/q;;+1/p-1/t29-;;/m1../s1
InChIKeyVIDXZUIWHLDRRN-SYXKTQFYSA-M
XLogP3.06
TPSA180.51 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.04
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

US10501440, Example 21
CID 135362160
US10501440, Example 13
CID 140932709
US10501440, Example 15
CID 140932754
1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
CID 156451076
N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
CID 158162073
lithium;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxylate
CID 158857024
1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
CID 140932701
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
CID 140932703
(1S,5R)-3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]pyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 140932757
[3-[5-[[4-[[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]carbamoyl]-3-methylpyrazol-1-yl]methyl]-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate
CID 142458441
1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1,5,6,7-tetrahydrocyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
CID 156451037
1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(1R)-1-[2-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-4-pyridinyl]propyl]pyrazole-4-carboxamide
CID 156451129

Frequently Asked Questions

What is the IUPAC name of lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 159226192) is lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is COc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1.Cc1nc(N2CCC3(CC3)C2)ccc1Cn1cc(C(=O)[O-])cn1.[Li+].
What is the InChIKey of lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is VIDXZUIWHLDRRN-SYXKTQFYSA-M. The full InChI is InChI=1S/C34H39N7O3.C17H20N4O2.Li/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3;1-12-13(9-21-10-14(8-18-21)16(22)23)2-3-15(19-12)20-7-6-17(11-20)4-5-17;/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42);2-3,8,10H,4-7,9,11H2,1H3,(H,22,23);/q;;+1/p-1/t29-;;/m1../s1.
What are the key properties of lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 912.04 g/mol, XLogP of 3.06, 14 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide;1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 159226192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).