2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid

C83H92Cl2F9N9O12 — CID 164947006

IUPAC2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)CCl)C1.CC1CC(C(=O)Cl)C1.CC1CC(C(=O)O)C1.CCOc1cc2nc(C3CC(C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N3O2.2C21H20F3N3O3.C7H11ClO.C6H9ClO.C6H10O2/c1-3-30-19-10-21-27-17(14-7-13(2)8-14)12-28(21)11-15(19)9-18(29)16-5-4-6-20(26-16)22(23,24)25;2*1-2-30-18-9-20-26-16(12-6-14(28)7-12)11-27(20)10-13(18)8-17(29)15-4-3-5-19(25-15)21(22,23)24;1-5-2-6(3-5)7(9)4-8;2*1-4-2-5(3-4)6(7)8/h4-6,10-14H,3,7-9H2,1-2H3;2*3-5,9-12,14,28H,2,6-8H2,1H3;5-6H,2-4H2,1H3;4-5H,2-3H2,1H3;4-5H,2-3H2,1H3,(H,7,8)
InChIKeyAADOKRXFPDKCNT-UHFFFAOYSA-N
MW1649.59 g/mol
LogP17.46
Rot. Bonds22

About 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid

2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid (PubChem CID 164947006) has the molecular formula C83H92Cl2F9N9O12 and a molecular weight of 1649.59 g/mol. Its IUPAC name is 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid
PubChem CID164947006
Molecular FormulaC83H92Cl2F9N9O12
Molecular Weight1649.59 g/mol
Exact Mass1647.61
IUPAC Name2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)CCl)C1.CC1CC(C(=O)Cl)C1.CC1CC(C(=O)O)C1.CCOc1cc2nc(C3CC(C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N3O2.2C21H20F3N3O3.C7H11ClO.C6H9ClO.C6H10O2/c1-3-30-19-10-21-27-17(14-7-13(2)8-14)12-28(21)11-15(19)9-18(29)16-5-4-6-20(26-16)22(23,24)25;2*1-2-30-18-9-20-26-16(12-6-14(28)7-12)11-27(20)10-13(18)8-17(29)15-4-3-5-19(25-15)21(22,23)24;1-5-2-6(3-5)7(9)4-8;2*1-4-2-5(3-4)6(7)8/h4-6,10-14H,3,7-9H2,1-2H3;2*3-5,9-12,14,28H,2,6-8H2,1H3;5-6H,2-4H2,1H3;4-5H,2-3H2,1H3;4-5H,2-3H2,1H3,(H,7,8)
InChIKeyAADOKRXFPDKCNT-UHFFFAOYSA-N
XLogP17.46
TPSA281.37 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.59
LogP ≤ 517.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid (CID 164947006) is 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid is CC1CC(C(=O)CCl)C1.CC1CC(C(=O)Cl)C1.CC1CC(C(=O)O)C1.CCOc1cc2nc(C3CC(C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(O)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid?
The InChIKey is AADOKRXFPDKCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2.2C21H20F3N3O3.C7H11ClO.C6H9ClO.C6H10O2/c1-3-30-19-10-21-27-17(14-7-13(2)8-14)12-28(21)11-15(19)9-18(29)16-5-4-6-20(26-16)22(23,24)25;2*1-2-30-18-9-20-26-16(12-6-14(28)7-12)11-27(20)10-13(18)8-17(29)15-4-3-5-19(25-15)21(22,23)24;1-5-2-6(3-5)7(9)4-8;2*1-4-2-5(3-4)6(7)8/h4-6,10-14H,3,7-9H2,1-2H3;2*3-5,9-12,14,28H,2,6-8H2,1H3;5-6H,2-4H2,1H3;4-5H,2-3H2,1H3;4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid?
2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid has a molecular weight of 1649.59 g/mol, XLogP of 17.46, 22 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 164947006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).