N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane

C37H48Cl2F2N4O3 — CID 164910849

IUPACN-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane
SMILESCC1CCc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(Cl)c(F)cc1F.CCO.CN.COC.Cc1ccc2nc(C)c(Cl)cc2c1
InChIInChI=1S/C21H21ClF2N2O.C11H10ClN.2C2H6O.CH5N/c1-11-2-5-13-14(11)7-20(16(9-25-10-27)12-3-4-12)26-21(13)15-6-17(22)19(24)8-18(15)23;1-7-3-4-11-9(5-7)6-10(12)8(2)13-11;1-3-2;1-2-3;1-2/h6-8,10-12,16H,2-5,9H2,1H3,(H,25,27);3-6H,1-2H3;1-2H3;3H,2H2,1H3;2H2,1H3
InChIKeyVGZNRKKFQPEIPQ-UHFFFAOYSA-N
MW705.72 g/mol
LogP8.31
Rot. Bonds6

About N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane

N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane (PubChem CID 164910849) has the molecular formula C37H48Cl2F2N4O3 and a molecular weight of 705.72 g/mol. Its IUPAC name is N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane.

Molecular Properties

Compound NameN-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane
PubChem CID164910849
Molecular FormulaC37H48Cl2F2N4O3
Molecular Weight705.72 g/mol
Exact Mass704.31
IUPAC NameN-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane
SMILESCC1CCc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(Cl)c(F)cc1F.CCO.CN.COC.Cc1ccc2nc(C)c(Cl)cc2c1
InChIInChI=1S/C21H21ClF2N2O.C11H10ClN.2C2H6O.CH5N/c1-11-2-5-13-14(11)7-20(16(9-25-10-27)12-3-4-12)26-21(13)15-6-17(22)19(24)8-18(15)23;1-7-3-4-11-9(5-7)6-10(12)8(2)13-11;1-3-2;1-2-3;1-2/h6-8,10-12,16H,2-5,9H2,1H3,(H,25,27);3-6H,1-2H3;1-2H3;3H,2H2,1H3;2H2,1H3
InChIKeyVGZNRKKFQPEIPQ-UHFFFAOYSA-N
XLogP8.31
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.72
LogP ≤ 58.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane with MolForge

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Related Compounds

N-[(3-chloro-2,8-dimethylquinolin-6-yl)methyl]-3,3,3-trifluoro-2-[4-fluoro-1-(4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]propan-1-amine;ethane;formamide
CID 169241082
8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide
CID 169241089
8-butan-2-yl-3,6-dimethylquinoline;N-[2-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-2-pyridinyl]-2-cyclopropylethyl]formamide
CID 169264858

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane?
The IUPAC name of N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane (CID 164910849) is N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane.
What is the SMILES notation for N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane?
The canonical SMILES for N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane is CC1CCc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(Cl)c(F)cc1F.CCO.CN.COC.Cc1ccc2nc(C)c(Cl)cc2c1.
What is the InChIKey of N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane?
The InChIKey is VGZNRKKFQPEIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O.C11H10ClN.2C2H6O.CH5N/c1-11-2-5-13-14(11)7-20(16(9-25-10-27)12-3-4-12)26-21(13)15-6-17(22)19(24)8-18(15)23;1-7-3-4-11-9(5-7)6-10(12)8(2)13-11;1-3-2;1-2-3;1-2/h6-8,10-12,16H,2-5,9H2,1H3,(H,25,27);3-6H,1-2H3;1-2H3;3H,2H2,1H3;2H2,1H3.
What are the key properties of N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane?
N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane has a molecular weight of 705.72 g/mol, XLogP of 8.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-chloro-2,4-difluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-cyclopropylethyl]formamide;3-chloro-2,6-dimethylquinoline;ethanol;methanamine;methoxymethane is sourced from PubChem (CID 164910849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).