N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate

C101H105F4N17O9 — CID 165016740

IUPACN-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCC(c1nc2cc(C(=O)NC3CC3)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC(c1nc2cc(C(=O)O)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.COC(=O)c1cc(N)c(N)cn1.COC(=O)c1cc2nc(C(C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2cn1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN5O.C25H25FN4O2.C24H23FN4O2.C18H20FNO2.C7H9N3O2/c1-15(26-32-23-13-24(30-14-25(23)33-26)27(34)31-19-7-8-19)16-2-4-17(5-3-16)20-10-11-29-22-9-6-18(28)12-21(20)22;1-14(24-29-21-12-22(25(31)32-2)28-13-23(21)30-24)15-3-5-16(6-4-15)18-9-10-27-20-8-7-17(26)11-19(18)20;1-13(23-28-20-11-21(24(30)31)27-12-22(20)29-23)14-2-4-15(5-3-14)17-8-9-26-19-7-6-16(25)10-18(17)19;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;1-12-7(11)6-2-4(8)5(9)3-10-6/h6,9-17,19H,2-5,7-8H2,1H3,(H,31,34)(H,32,33);7-16H,3-6H2,1-2H3,(H,29,30);6-15H,2-5H2,1H3,(H,28,29)(H,30,31);6-13H,2-5H2,1H3,(H,21,22);2-3H,9H2,1H3,(H2,8,10)/t;;;11-,12?,13?;/m...1./s1
InChIKeyKNQKLTVLXHCBGN-HJRXPILZSA-N
MW1777.05 g/mol
LogP20.95
Rot. Bonds17

About N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate

N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 165016740) has the molecular formula C101H105F4N17O9 and a molecular weight of 1777.05 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID165016740
Molecular FormulaC101H105F4N17O9
Molecular Weight1777.05 g/mol
Exact Mass1775.82
IUPAC NameN-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCC(c1nc2cc(C(=O)NC3CC3)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC(c1nc2cc(C(=O)O)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.COC(=O)c1cc(N)c(N)cn1.COC(=O)c1cc2nc(C(C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2cn1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN5O.C25H25FN4O2.C24H23FN4O2.C18H20FNO2.C7H9N3O2/c1-15(26-32-23-13-24(30-14-25(23)33-26)27(34)31-19-7-8-19)16-2-4-17(5-3-16)20-10-11-29-22-9-6-18(28)12-21(20)22;1-14(24-29-21-12-22(25(31)32-2)28-13-23(21)30-24)15-3-5-16(6-4-15)18-9-10-27-20-8-7-17(26)11-19(18)20;1-13(23-28-20-11-21(24(30)31)27-12-22(20)29-23)14-2-4-15(5-3-14)17-8-9-26-19-7-6-16(25)10-18(17)19;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;1-12-7(11)6-2-4(8)5(9)3-10-6/h6,9-17,19H,2-5,7-8H2,1H3,(H,31,34)(H,32,33);7-16H,3-6H2,1-2H3,(H,29,30);6-15H,2-5H2,1H3,(H,28,29)(H,30,31);6-13H,2-5H2,1H3,(H,21,22);2-3H,9H2,1H3,(H2,8,10)/t;;;11-,12?,13?;/m...1./s1
InChIKeyKNQKLTVLXHCBGN-HJRXPILZSA-N
XLogP20.95
TPSA397.50 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001777.05
LogP ≤ 520.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155318972
methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155322794
2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 155322806
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 155322831
CID 157368021
CID 157368021
(9S)-8-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)carbamoyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylic acid;(9S)-N-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine
CID 158332052
CID 158693874
CID 158693874
CID 160027169
CID 160027169
methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[4-(trifluoromethyl)isoquinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 160341303
CID 160451707
CID 160451707
methyl (2S)-3-[8-[6-amino-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 160653030
6-fluoro-4-[4-[(1R)-1-(4,5,6-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1R)-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazole-5-carboxylate
CID 160897436

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 165016740) is N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate is CC(c1nc2cc(C(=O)NC3CC3)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC(c1nc2cc(C(=O)O)ncc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.COC(=O)c1cc(N)c(N)cn1.COC(=O)c1cc2nc(C(C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2cn1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is KNQKLTVLXHCBGN-HJRXPILZSA-N. The full InChI is InChI=1S/C27H28FN5O.C25H25FN4O2.C24H23FN4O2.C18H20FNO2.C7H9N3O2/c1-15(26-32-23-13-24(30-14-25(23)33-26)27(34)31-19-7-8-19)16-2-4-17(5-3-16)20-10-11-29-22-9-6-18(28)12-21(20)22;1-14(24-29-21-12-22(25(31)32-2)28-13-23(21)30-24)15-3-5-16(6-4-15)18-9-10-27-20-8-7-17(26)11-19(18)20;1-13(23-28-20-11-21(24(30)31)27-12-22(20)29-23)14-2-4-15(5-3-14)17-8-9-26-19-7-6-16(25)10-18(17)19;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;1-12-7(11)6-2-4(8)5(9)3-10-6/h6,9-17,19H,2-5,7-8H2,1H3,(H,31,34)(H,32,33);7-16H,3-6H2,1-2H3,(H,29,30);6-15H,2-5H2,1H3,(H,28,29)(H,30,31);6-13H,2-5H2,1H3,(H,21,22);2-3H,9H2,1H3,(H2,8,10)/t;;;11-,12?,13?;/m...1./s1.
What are the key properties of N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 1777.05 g/mol, XLogP of 20.95, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;methyl 4,5-diaminopyridine-2-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 165016740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).