8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride

C45H45Cl2F3N8O — CID 158667033

IUPAC8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride
SMILESCOc1cc(-c2cc(F)c3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)ccc4c3)cc(F)c2n1.Cl.Cl
InChIInChI=1S/C23H23FN4O.C22H20F2N4.2ClH/c1-28-13-18-10-17(12-21(29-2)23(18)27-28)16-9-15-3-4-20(14-5-7-25-8-6-14)26-22(15)19(24)11-16;1-13-11-28-12-17(10-19(24)22(28)26-13)16-8-15-2-3-20(14-4-6-25-7-5-14)27-21(15)18(23)9-16;;/h3-4,9-14,25H,5-8H2,1-2H3;2-3,8-12,14,25H,4-7H2,1H3;2*1H
InChIKeyROSWHSBBXXOBII-UHFFFAOYSA-N
MW841.81 g/mol
LogP9.85
Rot. Bonds5

About 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride

8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride (PubChem CID 158667033) has the molecular formula C45H45Cl2F3N8O and a molecular weight of 841.81 g/mol. Its IUPAC name is 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride.

Molecular Properties

Compound Name8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride
PubChem CID158667033
Molecular FormulaC45H45Cl2F3N8O
Molecular Weight841.81 g/mol
Exact Mass840.30
IUPAC Name8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride
SMILESCOc1cc(-c2cc(F)c3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)ccc4c3)cc(F)c2n1.Cl.Cl
InChIInChI=1S/C23H23FN4O.C22H20F2N4.2ClH/c1-28-13-18-10-17(12-21(29-2)23(18)27-28)16-9-15-3-4-20(14-5-7-25-8-6-14)26-22(15)19(24)11-16;1-13-11-28-12-17(10-19(24)22(28)26-13)16-8-15-2-3-20(14-4-6-25-7-5-14)27-21(15)18(23)9-16;;/h3-4,9-14,25H,5-8H2,1-2H3;2-3,8-12,14,25H,4-7H2,1H3;2*1H
InChIKeyROSWHSBBXXOBII-UHFFFAOYSA-N
XLogP9.85
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.81
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride with MolForge

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Related Compounds

Ker-047
CID 142464264
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
6-[(1S)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 44181148
6-(difluoro(8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-3-methoxyquinoline
CID 44181149
8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387066
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-amine
CID 90000636
3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142401414
8-[(4-Fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 46174506
6-Fluoro-8-[(4-fluoropiperidin-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303710
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline
CID 118732802
6-[(1R)-1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732960
8-[(4-Fluoropiperidin-4-yl)methoxy]-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303635

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride?
The IUPAC name of 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride (CID 158667033) is 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride.
What is the SMILES notation for 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride?
The canonical SMILES for 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride is COc1cc(-c2cc(F)c3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(F)c4nc(C5CCNCC5)ccc4c3)cc(F)c2n1.Cl.Cl.
What is the InChIKey of 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride?
The InChIKey is ROSWHSBBXXOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O.C22H20F2N4.2ClH/c1-28-13-18-10-17(12-21(29-2)23(18)27-28)16-9-15-3-4-20(14-5-7-25-8-6-14)26-22(15)19(24)11-16;1-13-11-28-12-17(10-19(24)22(28)26-13)16-8-15-2-3-20(14-4-6-25-7-5-14)27-21(15)18(23)9-16;;/h3-4,9-14,25H,5-8H2,1-2H3;2-3,8-12,14,25H,4-7H2,1H3;2*1H.
What are the key properties of 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride?
8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride has a molecular weight of 841.81 g/mol, XLogP of 9.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylquinoline;8-fluoro-6-(7-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;dihydrochloride is sourced from PubChem (CID 158667033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).