(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate

C27H31FN2O6 — CID 177338453

IUPAC(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCOc1ccnc(C(=O)NC2(C(=O)OC3CCc4cc(F)ccc4C3C)CC2)c1OC(=O)C(C)(C)C
InChIInChI=1S/C27H31FN2O6/c1-15-18-8-7-17(28)14-16(18)6-9-19(15)35-25(33)27(11-12-27)30-23(31)21-22(20(34-5)10-13-29-21)36-24(32)26(2,3)4/h7-8,10,13-15,19H,6,9,11-12H2,1-5H3,(H,30,31)
InChIKeyVPKUJEJCSOUHQZ-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.10
Rot. Bonds6

About (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate

(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate (PubChem CID 177338453) has the molecular formula C27H31FN2O6 and a molecular weight of 498.55 g/mol. Its IUPAC name is (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate
PubChem CID177338453
Molecular FormulaC27H31FN2O6
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCOc1ccnc(C(=O)NC2(C(=O)OC3CCc4cc(F)ccc4C3C)CC2)c1OC(=O)C(C)(C)C
InChIInChI=1S/C27H31FN2O6/c1-15-18-8-7-17(28)14-16(18)6-9-19(15)35-25(33)27(11-12-27)30-23(31)21-22(20(34-5)10-13-29-21)36-24(32)26(2,3)4/h7-8,10,13-15,19H,6,9,11-12H2,1-5H3,(H,30,31)
InChIKeyVPKUJEJCSOUHQZ-UHFFFAOYSA-N
XLogP4.10
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-[[(2S)-1-[(2-fluoro-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] butanoate
CID 177338449
[2-[[(2S)-1-[[(1R,2R)-6-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 177338552
[2-[[(2S)-1-[[6-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-ethylbutanoate
CID 177338409
1,1-bis(4-fluorophenyl)prop-1-en-2-yl 1-[[4-methoxy-3-(2-methylpropanoyloxy)pyridine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 177338263
[4-methoxy-2-[[(2S)-1-[(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] butanoate
CID 177338514
[2-[[(2S)-1-[1,1-bis(4-fluoro-2-methylphenyl)prop-1-en-2-yloxy]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2,2-dimethylpropanoate
CID 177338193
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
[4-methoxy-2-[[(2S)-1-oxo-1-[(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)oxy]propan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 177338577
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
[(2R,3R)-3-(4-fluoro-2-methylphenyl)butan-2-yl] (2S)-2-[[4-methoxy-3-(2-methylpropanoyloxy)pyridine-2-carbonyl]amino]-3-methylbutanoate
CID 139473136
N-hydroxy-5-methoxyisoquinoline-1-carboxamide
CID 82574351
N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
CID 138037112

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate (CID 177338453) is (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate is COc1ccnc(C(=O)NC2(C(=O)OC3CCc4cc(F)ccc4C3C)CC2)c1OC(=O)C(C)(C)C.
What is the InChIKey of (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate?
The InChIKey is VPKUJEJCSOUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O6/c1-15-18-8-7-17(28)14-16(18)6-9-19(15)35-25(33)27(11-12-27)30-23(31)21-22(20(34-5)10-13-29-21)36-24(32)26(2,3)4/h7-8,10,13-15,19H,6,9,11-12H2,1-5H3,(H,30,31).
What are the key properties of (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate?
(6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate has a molecular weight of 498.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) 1-[[3-(2,2-dimethylpropanoyloxy)-4-methoxypyridine-2-carbonyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 177338453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).